%!PS-Adobe-2.0 %%Creator: dvipsk 5.58f Copyright 1986, 1994 Radical Eye Software %%Title: preprint.dvi %%Pages: 12 %%PageOrder: Ascend %%BoundingBox: 0 0 596 842 %%DocumentPaperSizes: a4 %%EndComments %DVIPSCommandLine: dvips preprint -o preprint.ps %DVIPSParameters: dpi=600, compressed, comments removed %DVIPSSource: TeX output 1997.04.28:1126 %%BeginProcSet: texc.pro /TeXDict 250 dict def TeXDict begin /N{def}def /B{bind def}N /S{exch}N /X{S N}B /TR{translate}N /isls false N /vsize 11 72 mul N /hsize 8.5 72 mul N /landplus90{false}def /@rigin{isls{[0 landplus90{1 -1}{-1 1} ifelse 0 0 0]concat}if 72 Resolution div 72 VResolution div neg scale isls{landplus90{VResolution 72 div vsize mul 0 exch}{Resolution -72 div hsize mul 0}ifelse TR}if Resolution VResolution vsize -72 div 1 add mul TR[matrix currentmatrix{dup dup round sub abs 0.00001 lt{round}if} forall round exch round exch]setmatrix}N /@landscape{/isls true N}B /@manualfeed{statusdict /manualfeed true put}B /@copies{/#copies X}B 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image } if PT 8 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 > } image } if PT 9 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 > } image } if PT 10 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 > } image } if PT 11 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F7 F7 B6 B6 D5 D5 E3 E3 D5 D5 B6 B6 F7 F7 FF FF 7F 7F 6B 6B 5D 5D 3E 3E 5D 5D 6B 6B 7F 7F FF FF > } image } if PT 12 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < E3 E3 DD DD BE BE BE BE BE BE DD DD E3 E3 FF FF 3E 3E DD DD EB EB EB EB EB EB DD DD 3E 3E FF FF > } image } if PT 13 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D > } image } if PT 14 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 00 00 EE EF EE EF EE EF 0E E0 EE EE EE EE EE EE 00 EE FE EE FE EE FE EE 00 00 FE EF FE EF FE EF > } image } if PT 15 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF > } image } if PT 16 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF > } image } if PT 17 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF > } image } if PT 18 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF > } image } if PT 19 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 1F FC 67 F3 7B EF BD DE BD DE DE BD E6 B3 F8 0F E6 B3 DE BD BD DE BD DE 7B EF 67 F3 1F FC 7F FF > } image } if PT 20 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB > } image } if PT 21 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE > } image } if PT 22 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F > } image } if PT 23 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 > } image } if PT 24 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC EA A8 D5 54 EA A8 D5 54 E8 28 D4 54 E8 E8 D4 D4 E8 EA 54 D5 A8 EA 54 D5 00 C0 00 80 > } image } if PT 25 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC FF F8 FF F0 F0 00 F0 00 F0 20 F0 60 F0 E0 F1 E0 F3 E0 F0 00 E0 00 C0 00 80 00 00 00 > } image } if gr } def /FA { /PT exch def gsave clip 0 0 translate 1 1 54 { 1 sub 47.2 mul /Xcurr exch def 1 1 74 { 1 sub 47.2 mul /Ycurr exch def gsave Xcurr Ycurr translate PT DP gr } for } for gr } def /reencdict 24 dict def /ReEncode {reencdict begin /nco&na exch def /nfnam exch def /basefontname exch def /basefontdict basefontname findfont def /newfont basefontdict maxlength dict def basefontdict {exch dup /FID ne {dup /Encoding eq {exch dup length array copy newfont 3 1 roll put} {exch newfont 3 1 roll put} ifelse} {pop pop} ifelse } forall newfont /FontName nfnam put nco&na aload pop nco&na length 2 idiv {newfont /Encoding get 3 1 roll put} repeat nfnam newfont definefont pop end } def /accvec [ 176 /agrave 181 /Agrave 190 /acircumflex 192 /Acircumflex 201 /adieresis 204 /Adieresis 209 /ccedilla 210 /Ccedilla 211 /eacute 212 /Eacute 213 /egrave 214 /Egrave 215 /ecircumflex 216 /Ecircumflex 217 /edieresis 218 /Edieresis 219 /icircumflex 220 /Icircumflex 221 /idieresis 222 /Idieresis 223 /ntilde 224 /Ntilde 226 /ocircumflex 228 /Ocircumflex 229 /odieresis 230 /Odieresis 231 /ucircumflex 236 /Ucircumflex 237 /udieresis 238 /Udieresis 239 /aring 242 /Aring 243 /ydieresis 244 /Ydieresis 246 /aacute 247 /Aacute 252 /ugrave 253 /Ugrave] def /Times-Roman /Times-Roman accvec ReEncode /Times-Italic /Times-Italic accvec ReEncode /Times-Bold /Times-Bold accvec ReEncode /Times-BoldItalic /Times-BoldItalic accvec ReEncode /Helvetica /Helvetica accvec ReEncode /Helvetica-Oblique /Helvetica-Oblique accvec ReEncode /Helvetica-Bold /Helvetica-Bold accvec ReEncode /Helvetica-BoldOblique /Helvetica-BoldOblique accvec ReEncode /Courier /Courier accvec ReEncode /Courier-Oblique /Courier-Oblique accvec ReEncode /Courier-Bold /Courier-Bold accvec ReEncode /Courier-BoldOblique /Courier-BoldOblique accvec ReEncode /oshow {gsave [] 0 sd true charpath stroke gr} def /stwn { /fs exch def /fn exch def /text exch def fn findfont fs sf text sw pop xs add /xs exch def} def /stwb { /fs exch def /fn exch def /nbas exch def /textf exch def textf length /tlen exch def nbas tlen gt {/nbas tlen def} if fn findfont fs sf textf dup length nbas sub nbas getinterval sw pop neg xs add /xs exch def} def /accspe [ 65 /plusminus 66 /bar 67 /existential 68 /universal 69 /exclam 70 /numbersign 71 /greater 72 /question 73 /integral 74 /colon 75 /semicolon 76 /less 77 /bracketleft 78 /bracketright 79 /greaterequal 80 /braceleft 81 /braceright 82 /radical 83 /spade 84 /heart 85 /diamond 86 /club 87 /lessequal 88 /multiply 89 /percent 90 /infinity 48 /circlemultiply 49 /circleplus 50 /emptyset 51 /lozenge 52 /bullet 53 /arrowright 54 /arrowup 55 /arrowleft 56 /arrowdown 57 /arrowboth 48 /degree 44 /comma 43 /plus 45 /angle 42 /angleleft 47 /divide 61 /notequal 40 /equivalence 41 /second 97 /approxequal 98 /congruent 99 /perpendicular 100 /partialdiff 101 /florin 102 /intersection 103 /union 104 /propersuperset 105 /reflexsuperset 106 /notsubset 107 /propersubset 108 /reflexsubset 109 /element 110 /notelement 111 /gradient 112 /logicaland 113 /logicalor 114 /arrowdblboth 115 /arrowdblleft 116 /arrowdblup 117 /arrowdblright 118 /arrowdbldown 119 /ampersand 120 /omega1 121 /similar 122 /aleph ] def /Symbol /Special accspe ReEncode gsave .25 .25 scale gsave 0 0 t black [] 0 sd 1 lw 1587 1814 454 227 bl 1587 1814 454 227 C NC 454 227 m 1814 Y s 488 227 m -34 X s 471 378 m -17 X s 471 529 m -17 X s 471 680 m -17 X s 488 832 m -34 X s 471 983 m -17 X s 471 1134 m -17 X s 471 1285 m -17 X s 488 1436 m -34 X s 471 1588 m -17 X s 471 1739 m -17 X s 471 1890 m -17 X s 488 2041 m -34 X s /xs 0 def (1) /Times-Roman 86 stwn gsave 408 198 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1) show gr /xs 0 def (1.2) /Times-Roman 86 stwn gsave 408 803 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1.2) show gr /xs 0 def (1.4) /Times-Roman 86 stwn gsave 408 1408 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1.4) show gr /xs 0 def (1.6) /Times-Roman 86 stwn gsave 408 2013 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1.6) show gr 454 227 m 1587 X s 454 261 m -34 Y s 559 244 m -17 Y s 665 244 m -17 Y s 771 244 m -17 Y s 877 244 m -17 Y s 983 261 m -34 Y s 1089 244 m -17 Y s 1194 244 m -17 Y s 1300 244 m -17 Y s 1406 244 m -17 Y s 1512 261 m -34 Y s 1618 244 m -17 Y s 1724 244 m -17 Y s 1830 244 m -17 Y s 1935 244 m -17 Y s 2041 261 m -34 Y s /xs 0 def (0) /Times-Roman 86 stwn gsave 454 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 86 stwn gsave 983 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 86 stwn gsave 1512 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 86 stwn gsave 2041 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (3) show gr 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (s) /Times-Roman 103 stwn gsave 2041 59 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 103 sf 0 0 m (s) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 189 1799 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (F) show currentpoint pop 0 t /Times-Roman findfont 72 sf 0 -34 m (xc) show gr 1587 1814 454 227 C 3 lw 454 227 m 26 1 d 27 5 d 26 9 d 26 11 d 27 15 d 26 17 d 27 20 d 26 24 d 27 25 d 26 28 d 27 30 d 26 32 d 27 34 d 26 36 d 27 36 d 26 38 d 26 39 d 27 40 d 26 40 d 27 41 d 26 41 d 27 42 d 26 41 d 27 41 d 26 41 d 27 40 d 26 41 d 26 39 d 27 39 d 26 39 d 27 38 d 26 37 d 27 36 d 26 36 d 27 35 d 26 34 d 27 33 d 26 33 d 27 31 d 26 31 d 26 30 d 27 29 d 26 28 d 27 28 d 26 26 d 27 26 d 26 26 d 27 24 d 26 24 d 27 23 d 26 22 d 27 22 d 26 21 d 26 20 d 27 20 d 26 19 d 27 18 d 26 18 d 27 18 d 26 17 d s 454 621 m 53 X 26 1 d 26 1 d 27 1 d 26 3 d 27 5 d 26 6 d 27 8 d 26 11 d 27 12 d 26 15 d 27 17 d 26 19 d 27 22 d 26 23 d 26 25 d 27 27 d 26 28 d 27 29 d 26 31 d 27 31 d 26 33 d 27 33 d 26 33 d 27 34 d 26 34 d 26 34 d 27 33 d 26 34 d 27 34 d 26 33 d 27 33 d 26 32 d 27 32 d 26 31 d 27 31 d 26 30 d 27 30 d 26 29 d 26 28 d 27 28 d 26 26 d 27 27 d 26 25 d 27 25 d 26 24 d 27 24 d 26 22 d 27 23 d 26 21 d 27 21 d 26 21 d 26 19 d 27 20 d 26 18 d 27 18 d 26 18 d 27 17 d 26 17 d s 454 818 m 105 X 27 1 d 26 1 d 27 2 d 26 3 d 27 5 d 26 5 d 27 7 d 26 9 d 27 10 d 26 13 d 27 13 d 26 16 d 26 18 d 27 19 d 26 20 d 27 22 d 26 24 d 27 25 d 26 25 d 27 27 d 26 28 d 27 28 d 26 29 d 26 29 d 27 29 d 26 30 d 27 30 d 26 29 d 27 30 d 26 29 d 27 29 d 26 29 d 27 28 d 26 28 d 27 28 d 26 27 d 26 26 d 27 26 d 26 26 d 27 25 d 26 24 d 27 24 d 26 23 d 27 22 d 26 22 d 27 22 d 26 21 d 27 20 d 26 20 d 26 19 d 27 18 d 26 19 d 27 17 d 26 17 d 27 17 d 26 16 d s 454 1158 m 158 X 27 1 d 26 X 27 1 d 26 1 d 27 2 d 26 2 d 27 3 d 26 3 d 27 5 d 26 6 d 26 6 d 27 8 d 26 10 d 27 10 d 26 12 d 27 13 d 26 14 d 27 15 d 26 17 d 27 18 d 26 18 d 26 19 d 27 21 d 26 20 d 27 22 d 26 22 d 27 22 d 26 22 d 27 23 d 26 22 d 27 23 d 26 23 d 27 23 d 26 22 d 26 22 d 27 22 d 26 22 d 27 22 d 26 21 d 27 21 d 26 20 d 27 20 d 26 20 d 27 19 d 26 19 d 27 18 d 26 18 d 26 18 d 27 17 d 26 16 d 27 17 d 26 16 d 27 15 d 26 15 d s 454 1453 m 105 X 27 -1 d 53 X 26 -1 d 27 X 26 -1 d 27 -1 d 26 -1 d 27 -1 d 26 -1 d 27 X 26 -1 d 26 1 d 27 X 26 2 d 27 2 d 26 3 d 27 5 d 26 5 d 27 6 d 26 7 d 27 9 d 26 9 d 26 11 d 27 11 d 26 12 d 27 14 d 26 14 d 27 14 d 26 16 d 27 15 d 26 17 d 27 16 d 26 17 d 27 17 d 26 18 d 26 17 d 27 18 d 26 17 d 27 18 d 26 17 d 27 18 d 26 17 d 27 17 d 26 17 d 27 16 d 26 17 d 27 16 d 26 16 d 26 15 d 27 15 d 26 15 d 27 15 d 26 14 d 27 14 d 26 14 d s 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 533 438 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 72 sf 0 -34 m (s) show currentpoint pop 0 t /Times-Roman findfont 103 sf 0 0 m (=0) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 533 711 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 72 sf 0 -34 m (s) show currentpoint pop 0 t /Times-Roman findfont 103 sf 0 0 m (=1) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 533 922 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 72 sf 0 -34 m (s) show currentpoint pop 0 t /Times-Roman findfont 103 sf 0 0 m (=2) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 533 1225 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 72 sf 0 -34 m (s) show currentpoint pop 0 t /Times-Roman findfont 103 sf 0 0 m (=5) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 533 1557 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 72 sf 0 -34 m (s) show currentpoint pop 0 t /Times-Roman findfont 103 sf 0 0 m (=10) show gr 1587 1814 454 227 C gr gr showpage end %%EndDocument endTexFig -73 1859 a Fu(FIG.)30 b(1.)53 b(The)37 b(enhancemen)n(t)f(factor)i Ft(F)1152 1867 y Fq(xc)1215 1859 y Fu(\()p Ft(r)1280 1867 y Fr(s)1313 1859 y Ft(;)13 b(\020)5 b(;)13 b(s)p Fu(\))37 b(of)h(Eq.)f(\(1\),)-150 1950 y(ev)l(aluated)29 b(for)h(a)f(spin-unp)r(olarized)g(\()p Ft(\020)j Fu(=)27 b(0\))i(system)f(in)h(the)f(PBE)-150 2042 y(GGA)e(of)g(Ref.)276 2010 y Fq(8)311 2042 y Fu(,)g(sho)n(wing)h(the)e(nonlo)r(calit)n(y)i (or)f(s-dep)r(endence.)-150 2305 y Fw(sides)g Fm(s)p Fw(,)h(there)f(are)g(other)g(measures)f(of)h(densit)n(y)h(inhomogene-) -150 2401 y(it)n(y)-7 b(,)31 b(suc)n(h)g(as)f(the)h(reduced)f (Laplacian)f Fk(r)1199 2371 y Fn(2)1237 2401 y Fm(n=)p Fw(\(2)p Fm(k)1446 2413 y Fh(F)1500 2401 y Fw(\))1532 2371 y Fn(2)1570 2401 y Fm(n)h Fw(\(whic)n(h)-150 2496 y(div)n(erges)25 b(at)i(the)g(n)n(uclear)f(cusp)h(of)f(the)i(densit)n (y)-7 b(,)27 b(although)f Fm(s)h Fw(is)-150 2592 y(small)g(there\).)-67 2687 y(Neither)j(LSD)h(nor)f(GGA)g(is)g(justi\014ed)h(near)f(a)g(n)n (ucleus)g(and)-150 2783 y(outside)36 b(the)g(classical)e(turning)i (surface)e(for)i(the)g(most)f(ener-)-150 2878 y(getic)d(electron.)51 b(F)-7 b(or)31 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tlen def} if fn findfont fs sf textf dup length nbas sub nbas getinterval sw pop neg xs add /xs exch def} def /accspe [ 65 /plusminus 66 /bar 67 /existential 68 /universal 69 /exclam 70 /numbersign 71 /greater 72 /question 73 /integral 74 /colon 75 /semicolon 76 /less 77 /bracketleft 78 /bracketright 79 /greaterequal 80 /braceleft 81 /braceright 82 /radical 83 /spade 84 /heart 85 /diamond 86 /club 87 /lessequal 88 /multiply 89 /percent 90 /infinity 48 /circlemultiply 49 /circleplus 50 /emptyset 51 /lozenge 52 /bullet 53 /arrowright 54 /arrowup 55 /arrowleft 56 /arrowdown 57 /arrowboth 48 /degree 44 /comma 43 /plus 45 /angle 42 /angleleft 47 /divide 61 /notequal 40 /equivalence 41 /second 97 /approxequal 98 /congruent 99 /perpendicular 100 /partialdiff 101 /florin 102 /intersection 103 /union 104 /propersuperset 105 /reflexsuperset 106 /notsubset 107 /propersubset 108 /reflexsubset 109 /element 110 /notelement 111 /gradient 112 /logicaland 113 /logicalor 114 /arrowdblboth 115 /arrowdblleft 116 /arrowdblup 117 /arrowdblright 118 /arrowdbldown 119 /ampersand 120 /omega1 121 /similar 122 /aleph ] def /Symbol /Special accspe ReEncode gsave .25 .25 scale gsave 0 0 t black [] 0 sd 1 lw 680 794 454 1247 bl 680 794 454 1247 C NC 454 1247 m 794 Y s 488 1247 m -34 X s 471 1279 m -17 X s 471 1311 m -17 X s 471 1343 m -17 X s 471 1374 m -17 X s 488 1406 m -34 X s 471 1438 m -17 X s 471 1470 m -17 X s 471 1501 m -17 X s 471 1533 m -17 X s 488 1565 m -34 X s 471 1597 m -17 X s 471 1628 m -17 X s 471 1660 m -17 X s 471 1692 m -17 X s 488 1724 m -34 X s 471 1755 m -17 X s 471 1787 m -17 X s 471 1819 m -17 X s 471 1851 m -17 X s 488 1882 m -34 X s 471 1914 m -17 X s 471 1946 m -17 X s 471 1978 m -17 X s 471 2009 m -17 X s 488 2041 m -34 X s /xs 0 def (0) /Times-Roman 68 stwn gsave 408 1225 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 408 1383 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 408 1542 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 408 1701 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 408 1860 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr /xs 0 def (5) /Times-Roman 68 stwn gsave 408 2019 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (5) show gr 454 1247 m 680 X s 454 1281 m -34 Y s 488 1264 m -17 Y s 522 1264 m -17 Y s 556 1264 m -17 Y s 590 1264 m -17 Y s 624 1281 m -34 Y s 658 1264 m -17 Y s 692 1264 m -17 Y s 726 1264 m -17 Y s 760 1264 m -17 Y s 794 1281 m -34 Y s 828 1264 m -17 Y s 862 1264 m -17 Y s 896 1264 m -17 Y s 930 1264 m -17 Y s 964 1281 m -34 Y s 998 1264 m -17 Y s 1032 1264 m -17 Y s 1066 1264 m -17 Y s 1100 1264 m -17 Y s 1134 1281 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 454 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 624 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 794 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 964 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 1134 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr 680 794 454 1247 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn gsave 1134 1102 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show gr 680 794 454 1247 C 3 lw 454 1264 m 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 2 d 2 1 d 2 1 d 2 2 d 2 1 d 2 2 d 2 2 d 2 2 d 2 1 d 2 2 d 2 2 d 2 3 d 2 2 d 2 2 d 3 3 d 2 2 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 4 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 2 d 2 3 d 2 2 d 2 2 d 2 2 d 3 2 d 2 1 d 2 2 d 2 1 d 2 1 d 2 2 d 2 1 d 2 1 d 2 1 d 2 1 d 2 X 2 1 d 2 1 d 2 1 d 2 1 d 2 X 2 1 d 2 1 d 2 1 d 2 X 2 1 d 2 1 d 2 1 d 3 1 d 2 X 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 1 d 2 2 d 2 1 d 2 1 d 2 1 d 2 1 d 3 2 d 2 1 d 2 1 d 2 2 d 2 1 d 2 1 d 2 2 d 2 1 d 2 2 d 2 1 d 2 2 d 2 1 d 2 2 d 2 1 d 2 2 d 2 2 d 2 1 d 2 2 d 2 2 d 2 1 d 2 2 d 2 2 d 3 1 d 2 2 d 2 2 d 2 2 d 2 2 d 2 2 d 2 1 d 2 2 d 2 2 d 2 2 d 2 2 d 2 2 d 2 2 d 2 2 d 2 2 d 2 2 d 2 3 d 2 2 d 2 2 d 2 2 d 2 2 d 2 3 d 3 2 d 2 2 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 3 d 2 2 d 2 3 d 2 3 d 2 3 d 2 2 d 2 3 d 2 3 d 3 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 4 d 2 3 d 2 3 d 2 4 d 2 3 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 3 4 d 2 3 d 2 4 d 2 4 d 2 4 d 2 3 d 2 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 3 d 2 5 d 2 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 5 d 2 4 d 3 4 d 2 4 d 2 5 d 2 4 d 2 5 d 2 4 d 2 5 d s 869 1724 m 2 4 d 2 5 d 2 4 d 2 5 d 2 5 d 2 4 d 2 5 d 2 5 d 2 4 d 2 5 d 2 5 d 2 5 d 2 5 d 2 5 d 2 5 d 3 5 d 2 5 d 2 5 d 2 5 d 2 5 d 2 6 d 2 5 d 2 5 d 2 6 d 2 5 d 2 5 d 2 6 d 2 5 d 2 6 d 2 5 d 2 6 d 2 6 d 2 5 d 2 6 d 2 6 d 2 6 d 2 6 d 3 6 d 2 6 d 2 6 d 2 6 d 2 6 d 2 6 d 2 6 d 2 7 d 2 6 d 2 6 d 2 7 d 2 7 d 2 6 d 2 7 d 2 7 d 2 6 d 2 7 d 2 7 d 2 7 d 2 7 d s 2268 2268 0 0 C 680 794 454 1247 C 2268 2268 0 0 C gsave 301 1962 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show gr 680 794 454 1247 C 2268 2268 0 0 C 680 794 454 1247 C 2268 2268 0 0 C gsave 471 1914 t 0 r 0 0 m /Times-Roman findfont 48 sf 0 0 m (c.) show gr 680 794 454 1247 C 2268 2268 0 0 C 680 794 454 1247 C 2268 2268 0 0 C gsave 513 1914 t 0 r 0 0 m /Times-Roman findfont 48 sf 0 0 m (CV) show gr 680 794 454 1247 C 2268 2268 0 0 C 680 794 454 1247 C 2268 2268 0 0 C gsave 590 1914 t 0 r 0 0 m /Times-Roman findfont 48 sf 0 0 m (valence) show gr 680 794 454 1247 C 2268 2268 0 0 C 680 794 454 1247 C 2268 2268 0 0 C gsave 811 1914 t 0 r 0 0 m /Times-Roman findfont 48 sf 0 0 m (tail) show gr 680 794 454 1247 C 2268 2268 0 0 C 1 lw 513 1247 m 23 Y s 513 1293 m 22 Y s 513 1338 m 23 Y s 513 1383 m 23 Y s 513 1429 m 23 Y s 513 1474 m 23 Y s 513 1520 m 22 Y s 513 1565 m 23 Y s 513 1610 m 23 Y s 513 1656 m 22 Y s 513 1701 m 23 Y s 513 1746 m 23 Y s 513 1792 m 22 Y s 513 1837 m 23 Y s 513 1882 m 23 Y s 513 1928 m 22 Y s 513 1973 m 23 Y s 513 2019 m 22 Y s 680 794 454 1247 C 2268 2268 0 0 C 572 1247 m 23 Y s 572 1293 m 22 Y s 572 1338 m 23 Y s 572 1383 m 23 Y s 572 1429 m 23 Y s 572 1474 m 23 Y s 572 1520 m 22 Y s 572 1565 m 23 Y s 572 1610 m 23 Y s 572 1656 m 22 Y s 572 1701 m 23 Y s 572 1746 m 23 Y s 572 1792 m 22 Y s 572 1837 m 23 Y s 572 1882 m 23 Y s 572 1928 m 22 Y s 572 1973 m 23 Y s 572 2019 m 22 Y s 680 794 454 1247 C 2268 2268 0 0 C 786 1247 m 23 Y s 786 1293 m 22 Y s 786 1338 m 23 Y s 786 1383 m 23 Y s 786 1429 m 23 Y s 786 1474 m 23 Y s 786 1520 m 22 Y s 786 1565 m 23 Y s 786 1610 m 23 Y s 786 1656 m 22 Y s 786 1701 m 23 Y s 786 1746 m 23 Y s 786 1792 m 22 Y s 786 1837 m 23 Y s 786 1882 m 23 Y s 786 1928 m 22 Y s 786 1973 m 23 Y s 786 2019 m 22 Y s 680 794 454 1247 C 2268 2268 0 0 C 454 1323 m 11 X s 476 1323 m 12 X s 499 1323 m 11 X s 522 1323 m 11 X s 544 1323 m 12 X s 567 1323 m 11 X s 590 1323 m 11 X s 612 1323 m 12 X s 635 1323 m 11 X s 658 1323 m 11 X s 680 1323 m 12 X s 703 1323 m 11 X s 726 1323 m 11 X s 748 1323 m 12 X s 771 1323 m 11 X s 794 1323 m 11 X s 816 1323 m 12 X s 839 1323 m 11 X s 862 1323 m 11 X s 885 1323 m 11 X s 907 1323 m 12 X s 930 1323 m 11 X s 953 1323 m 11 X s 975 1323 m 12 X s 998 1323 m 11 X s 1021 1323 m 11 X s 1043 1323 m 12 X s 1066 1323 m 11 X s 1089 1323 m 11 X s 1111 1323 m 12 X s 680 794 454 1247 C 2268 2268 0 0 C 454 1374 m 11 X s 476 1374 m 12 X s 499 1374 m 11 X s 522 1374 m 11 X s 544 1374 m 12 X s 567 1374 m 11 X s 590 1374 m 11 X s 612 1374 m 12 X s 635 1374 m 11 X s 658 1374 m 11 X s 680 1374 m 12 X s 703 1374 m 11 X s 726 1374 m 11 X s 748 1374 m 12 X s 771 1374 m 11 X s 794 1374 m 11 X s 816 1374 m 12 X s 839 1374 m 11 X s 862 1374 m 11 X s 885 1374 m 11 X s 907 1374 m 12 X s 930 1374 m 11 X s 953 1374 m 11 X s 975 1374 m 12 X s 998 1374 m 11 X s 1021 1374 m 11 X s 1043 1374 m 12 X s 1066 1374 m 11 X s 1089 1374 m 11 X s 1111 1374 m 12 X s 680 794 454 1247 C 2268 2268 0 0 C 454 1567 m 11 X s 476 1567 m 12 X s 499 1567 m 11 X s 522 1567 m 11 X s 544 1567 m 12 X s 567 1567 m 11 X s 590 1567 m 11 X s 612 1567 m 12 X s 635 1567 m 11 X s 658 1567 m 11 X s 680 1567 m 12 X s 703 1567 m 11 X s 726 1567 m 11 X s 748 1567 m 12 X s 771 1567 m 11 X s 794 1567 m 11 X s 816 1567 m 12 X s 839 1567 m 11 X s 862 1567 m 11 X s 885 1567 m 11 X s 907 1567 m 12 X s 930 1567 m 11 X s 953 1567 m 11 X s 975 1567 m 12 X s 998 1567 m 11 X s 1021 1567 m 11 X s 1043 1567 m 12 X s 1066 1567 m 11 X s 1089 1567 m 11 X s 1111 1567 m 12 X s 680 794 454 1247 C NC 680 794 1361 1247 bl 680 794 1361 1247 C NC 1361 1247 m 794 Y s 1395 1247 m -34 X s 1378 1279 m -17 X s 1378 1311 m -17 X s 1378 1343 m -17 X s 1378 1374 m -17 X s 1395 1406 m -34 X s 1378 1438 m -17 X s 1378 1470 m -17 X s 1378 1501 m -17 X s 1378 1533 m -17 X s 1395 1565 m -34 X s 1378 1597 m -17 X s 1378 1628 m -17 X s 1378 1660 m -17 X s 1378 1692 m -17 X s 1395 1724 m -34 X s 1378 1755 m -17 X s 1378 1787 m -17 X s 1378 1819 m -17 X s 1378 1851 m -17 X s 1395 1882 m -34 X s 1378 1914 m -17 X s 1378 1946 m -17 X s 1378 1978 m -17 X s 1378 2009 m -17 X s 1395 2041 m -34 X s /xs 0 def (0) /Times-Roman 68 stwn gsave 1315 1225 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 1315 1383 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1315 1542 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 1315 1701 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 1315 1860 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr /xs 0 def (5) /Times-Roman 68 stwn gsave 1315 2019 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (5) show gr 1361 1247 m 680 X s 1361 1281 m -34 Y s 1395 1264 m -17 Y s 1429 1264 m -17 Y s 1463 1264 m -17 Y s 1497 1264 m -17 Y s 1531 1281 m -34 Y s 1565 1264 m -17 Y s 1599 1264 m -17 Y s 1633 1264 m -17 Y s 1667 1264 m -17 Y s 1701 1281 m -34 Y s 1735 1264 m -17 Y s 1769 1264 m -17 Y s 1803 1264 m -17 Y s 1837 1264 m -17 Y s 1871 1281 m -34 Y s 1905 1264 m -17 Y s 1939 1264 m -17 Y s 1973 1264 m -17 Y s 2007 1264 m -17 Y s 2041 1281 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 1361 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1531 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 1701 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr /xs 0 def (6) /Times-Roman 68 stwn gsave 1871 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (6) show gr /xs 0 def (8) /Times-Roman 68 stwn gsave 2041 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (8) show gr 680 794 1361 1247 C 2268 2268 0 0 C /xs 0 def (g) /Times-Roman 86 stwn (1) /Times-Roman 60 stwn (\(r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (\)) /Times-Roman 86 stwn gsave 2041 1102 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (g) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (1) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\(r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\)) show gr 680 794 1361 1247 C 3 lw 1363 1248 m 1 2 d 2 1 d 3 2 d 5 2 d 8 1 d 13 2 d 20 1 d 29 2 d 42 2 d 56 1 d 69 2 d 78 1 d 79 2 d 74 1 d 63 2 d 47 2 d 32 1 d 16 2 d 4 1 d -8 2 d -15 2 d -21 1 d -25 2 d -27 1 d -28 2 d -28 2 d -27 1 d -26 2 d -25 1 d -23 2 d -22 1 d -21 2 d -19 2 d -18 1 d -16 2 d -16 1 d -14 2 d -13 2 d -12 1 d -11 2 d -10 1 d -10 2 d -8 2 d -8 1 d -7 2 d -6 1 d -6 2 d -5 2 d -4 1 d -4 2 d -4 1 d -2 2 d -3 1 d -1 2 d -1 2 d -1 1 d 2 Y 1 1 d 2 2 d 2 2 d 4 1 d 5 2 d 5 1 d 8 2 d 9 2 d 11 1 d 14 2 d 16 1 d 20 2 d 23 2 d 27 1 d 31 2 d 34 1 d 36 2 d 38 1 d 36 2 d 35 2 d 30 1 d 24 2 d 18 1 d 11 2 d 5 2 d 1 Y -4 2 d -7 1 d -10 2 d -11 2 d -12 1 d -12 2 d -13 1 d -12 2 d -12 1 d -12 2 d -12 2 d -11 1 d -11 2 d -11 1 d -10 2 d -10 2 d -9 1 d -9 2 d -9 1 d -9 2 d -8 2 d -9 1 d -7 2 d -8 1 d -8 2 d -7 2 d -7 1 d -7 2 d -6 1 d -7 2 d -6 1 d -6 2 d -6 2 d -6 1 d -6 2 d -5 1 d -6 2 d -5 2 d -5 1 d -5 2 d -5 1 d -5 2 d -5 2 d -4 1 d -5 2 d -4 1 d -5 2 d -4 2 d -4 1 d -4 2 d -4 1 d -4 2 d -3 1 d -4 2 d -4 2 d -3 1 d -4 2 d -3 1 d -3 2 d -3 2 d -4 1 d -3 2 d -3 1 d -3 2 d -3 2 d -2 1 d -3 2 d -3 1 d -2 2 d -3 2 d -3 1 d -2 2 d -2 1 d -3 2 d -2 1 d -2 2 d -3 2 d -2 1 d -2 2 d -2 1 d -2 2 d -2 2 d -2 1 d -2 2 d -2 1 d -2 2 d -2 2 d -1 1 d -2 2 d -2 1 d -1 2 d -2 1 d -2 2 d -1 2 d -2 1 d -1 2 d -2 1 d -1 2 d -2 2 d -1 1 d -1 2 d -2 1 d -1 2 d -1 2 d -1 1 d -2 2 d -1 1 d -1 2 d -1 2 d -1 1 d -2 2 d -1 1 d -1 2 d -1 1 d -1 2 d -1 2 d -1 1 d -1 2 d -1 1 d -1 2 d s 1429 1571 m -1 2 d 1 Y -1 2 d -1 1 d -1 2 d -1 2 d -1 1 d -1 2 d 1 Y -1 2 d -1 2 d -1 1 d 2 Y -1 1 d -1 2 d -1 1 d 2 Y -1 2 d -1 1 d 2 Y -1 1 d -1 2 d 2 Y -1 1 d 2 Y -1 1 d -1 2 d 2 Y -1 1 d 2 Y -1 1 d 2 Y -1 1 d 2 Y -1 2 d 1 Y -1 2 d 1 Y -1 2 d 2 Y -1 1 d 2 Y -1 1 d 2 Y -1 2 d 3 Y -1 1 d 2 Y -1 2 d 3 Y -1 1 d 2 Y -1 1 d 4 Y -1 1 d 3 Y -1 2 d 3 Y -1 2 d 3 Y -1 2 d 3 Y -1 1 d 4 Y -1 1 d 5 Y -1 1 d 4 Y -1 1 d 5 Y -1 2 d 4 Y -1 2 d 6 Y -1 2 d 5 Y -1 1 d 7 Y -1 1 d 7 Y -1 1 d 8 Y -1 2 d 6 Y -1 2 d 8 Y -1 1 d 10 Y -1 1 d 10 Y -1 1 d 12 Y -1 1 d 11 Y -1 2 d 13 Y -1 1 d 15 Y -1 1 d 16 Y -1 2 d 17 Y -1 2 d 11 Y s 1371 1894 m 9 Y -1 2 d 22 Y -1 2 d 27 Y -1 1 d 29 Y -1 2 d 39 Y -1 2 d 13 Y s 2268 2268 0 0 C 1361 1248 m 2 Y s 1361 1250 m 1 Y s 1361 1251 m 2 Y s 1361 1253 m 2 Y s 1361 1255 m 1 Y s 1361 1256 m 2 Y s 1361 1258 m 1 Y s 1361 1259 m 2 Y s 1361 1261 m 2 Y s 1361 1263 m 1 Y s 1361 1264 m 2 Y s 1361 1266 m 1 Y s 1361 1267 m 2 Y s 1361 1269 m 1 Y s 1361 1270 m 1 Y s /w 6 def /w2 {w 2 div} def /w3 {w 3 div} def 1361 1282 m20 1361 1282 m20 1361 1294 m s 1361 1294 m 2 Y s 1361 1296 m 1 Y s 1361 1297 m 2 Y s 1361 1299 m 2 Y s 1361 1301 m 1 Y s 1361 1302 m 2 Y s 1361 1304 m 1 Y s 1361 1305 m 2 Y s 1361 1307 m 2 Y s 1361 1309 m 1 Y s 1361 1310 m 2 Y s 1361 1312 m 1 Y s 1361 1313 m 2 Y s 1361 1315 m 1 Y s 1362 1328 m20 1362 1328 m20 1369 1335 m 2 1 d s 1371 1336 m 6 1 d s 1377 1337 m 9 2 d s 1386 1339 m 6 1 d s 1403 1341 m20 1403 1341 m20 1414 1342 m 1 X s 1415 1342 m 20 2 d s 1435 1344 m 2 X s 1448 1345 m20 1448 1345 m20 1459 1345 m 19 2 d s 1478 1347 m 4 X s 1493 1348 m20 1493 1348 m20 1505 1349 m 10 1 d s 1515 1350 m 12 1 d s 1538 1352 m20 1538 1352 m20 1550 1353 m 15 2 d s 1565 1355 m 7 X s 1584 1356 m20 1584 1356 m20 1595 1357 m 9 1 d s 1604 1358 m 14 1 d s 1629 1360 m20 1629 1360 m20 1640 1360 m 15 1 d s 1655 1361 m 8 X s 1674 1362 m20 1674 1362 m20 1686 1363 m s 1686 1363 m 22 1 d s 1719 1364 m20 1719 1364 m20 1731 1365 m 22 1 d s 1765 1366 m20 1765 1366 m20 1776 1367 m 18 X s 1794 1367 m 5 1 d s 1810 1368 m20 1810 1368 m20 1821 1369 m 10 X s 1831 1369 m 13 1 d s 1855 1370 m20 1855 1370 m20 1867 1371 m 22 1 d s 1901 1373 m20 1901 1373 m20 1912 1373 m 8 1 d s 1920 1374 m 15 1 d s 1946 1377 m20 1946 1377 m20 1953 1381 m -3 1 d s 1950 1382 m -7 1 d s 1943 1383 m -10 2 d s 1933 1385 m -2 X s 1920 1387 m20 1920 1387 m20 1909 1388 m -11 2 d s 1898 1390 m -12 1 d s 1875 1393 m20 1875 1393 m20 1864 1394 m -3 X s 1861 1394 m -12 2 d s 1849 1396 m -8 1 d s 1830 1399 m20 1830 1399 m20 1819 1400 m -4 1 d s 1815 1401 m -11 1 d s 1804 1402 m -8 2 d s 1785 1405 m20 1785 1405 m20 1774 1407 m -8 2 d s 1766 1409 m -9 1 d s 1757 1410 m -5 1 d s 1740 1413 m20 1740 1413 m20 1729 1416 m -5 1 d s 1724 1417 m -8 1 d s 1716 1418 m -8 2 d s 1708 1420 m -1 X s 1696 1423 m20 1696 1423 m20 1685 1425 m -4 1 d s 1681 1426 m -7 2 d s 1674 1428 m -6 1 d s 1668 1429 m -5 2 d s 1652 1434 m20 1652 1434 m20 1641 1437 m -2 X s 1639 1437 m -6 2 d s 1633 1439 m -5 2 d s 1628 1441 m -5 1 d s 1623 1442 m -4 1 d s 1609 1447 m20 1609 1447 m20 1598 1450 m -4 2 d s 1594 1452 m -4 1 d s 1590 1453 m -5 2 d s 1585 1455 m -4 2 d s 1581 1457 m -4 1 d s 1577 1458 m s 1566 1463 m20 1566 1463 m20 1556 1467 m -2 1 d s 1554 1468 m -3 1 d s 1551 1469 m -4 2 d s 1547 1471 m -3 1 d s 1544 1472 m -3 2 d s 1541 1474 m -3 2 d s 1538 1476 m -3 1 d s 1525 1482 m20 1525 1482 m20 1515 1488 m -1 X s 1514 1488 m -2 2 d s 1512 1490 m -3 2 d s 1509 1492 m -3 1 d s 1506 1493 m -2 2 d s 1504 1495 m -2 1 d s 1502 1496 m -3 2 d s 1499 1498 m -2 1 d s 1497 1499 m -1 1 d s 1487 1507 m20 1487 1507 m20 1478 1514 m s 1478 1514 m -2 1 d s 1476 1515 m -2 2 d s 1474 1517 m -2 2 d s 1472 1519 m -1 1 d s 1471 1520 m -2 2 d s 1469 1522 m -2 1 d s 1467 1523 m -1 2 d s 1466 1525 m -2 1 d s 1464 1526 m -2 2 d s 1462 1528 m -1 1 d s 1454 1537 m20 1454 1537 m20 1446 1546 m 1 Y s 1446 1547 m -2 2 d s 1444 1549 m -1 1 d s 1443 1550 m -1 2 d s 1442 1552 m -1 2 d s 1441 1554 m -1 1 d s 1440 1555 m -2 2 d s 1438 1557 m -1 1 d s 1437 1558 m -1 2 d s 1436 1560 m -1 1 d s 1435 1561 m -1 2 d s 1434 1563 m -1 1 d s 680 794 1361 1247 C 2268 2268 0 0 C 1429 1571 m -1 2 d s 1428 1573 m 1 Y s 1428 1574 m -1 2 d s 1427 1576 m -1 1 d s 1426 1577 m -1 2 d s 1425 1579 m -1 2 d s 1424 1581 m -1 1 d s 1423 1582 m -1 2 d s 1422 1584 m 1 Y s 1422 1585 m -1 2 d s 1421 1587 m -1 2 d s 1420 1589 m -1 1 d s 1419 1590 m 1 Y s 1414 1601 m20 1414 1601 m20 1410 1612 m s 1410 1612 m -1 2 d s 1409 1614 m 2 Y s 1409 1616 m -1 1 d s 1408 1617 m 2 Y s 1408 1619 m -1 1 d s 1407 1620 m 2 Y s 1407 1622 m -1 1 d s 1406 1623 m 2 Y s 1406 1625 m -1 2 d s 1405 1627 m 1 Y s 1405 1628 m -1 2 d s 1404 1630 m 1 Y s 1404 1631 m -1 2 d s 1403 1633 m 1 Y s 1400 1644 m20 1400 1644 m20 1397 1655 m 2 Y s 1397 1657 m -1 1 d s 1396 1658 m 2 Y s 1396 1660 m 2 Y s 1396 1662 m -1 1 d s 1395 1663 m 2 Y s 1395 1665 m 1 Y s 1395 1666 m -1 2 d s 1394 1668 m 2 Y s 1394 1670 m 1 Y s 1394 1671 m -1 2 d s 1393 1673 m 1 Y s 1393 1674 m 2 Y s 1393 1676 m -1 2 d s 1392 1678 m s 1390 1689 m20 1390 1689 m20 1388 1700 m 1 Y s 1388 1701 m 2 Y s 1388 1703 m -1 2 d s 1387 1705 m 1 Y s 1387 1706 m 2 Y s 1387 1708 m 1 Y s 1387 1709 m -1 2 d s 1386 1711 m 2 Y s 1386 1713 m 1 Y s 1386 1714 m 2 Y s 1386 1716 m 1 Y s 1386 1717 m -1 2 d s 1385 1719 m 1 Y s 1385 1720 m 2 Y s 1385 1722 m s 1383 1734 m20 1383 1734 m20 1382 1745 m 1 Y s 1382 1746 m 2 Y s 1382 1748 m 1 Y s 1382 1749 m -1 2 d s 1381 1751 m 1 Y s 1381 1752 m 2 Y s 1381 1754 m 1 Y s 1381 1755 m 2 Y s 1381 1757 m -1 2 d s 1380 1759 m 1 Y s 1380 1760 m 2 Y s 1380 1762 m 1 Y s 1380 1763 m 2 Y s 1380 1765 m 2 Y s 1380 1767 m s 1379 1779 m20 1379 1779 m20 1378 1790 m -1 X s 1377 1790 m 2 Y s 1377 1792 m 2 Y s 1377 1794 m 1 Y s 1377 1795 m 2 Y s 1377 1797 m 1 Y s 1377 1798 m 2 Y s 1377 1800 m 2 Y s 1377 1802 m -1 1 d s 1376 1803 m 2 Y s 1376 1805 m 1 Y s 1376 1806 m 2 Y s 1376 1808 m 2 Y s 1376 1810 m 1 Y s 1376 1811 m 2 Y s 1375 1824 m20 1375 1824 m20 1374 1835 m 2 Y s 1374 1837 m 1 Y s 1374 1838 m 2 Y s 1374 1840 m 1 Y s 1374 1841 m 2 Y s 1374 1843 m 2 Y s 1374 1845 m -1 1 d s 1373 1846 m 2 Y s 1373 1848 m 1 Y s 1373 1849 m 2 Y s 1373 1851 m 1 Y s 1373 1852 m 2 Y s 1373 1854 m 2 Y s 1373 1856 m 1 Y s 1373 1857 m 1 Y s 1372 1869 m20 1372 1869 m20 1372 1881 m s 1372 1881 m -1 2 d s 1371 1883 m 1 Y s 1371 1884 m 2 Y s 1371 1886 m 1 Y s 1371 1887 m 2 Y s 1371 1889 m 2 Y s 1371 1891 m 1 Y s 1371 1892 m 2 Y s 680 794 1361 1247 C 2268 2268 0 0 C 1371 1894 m 1 Y s 1371 1895 m 2 Y s 1371 1897 m 2 Y s 1371 1899 m 1 Y s 1371 1900 m 2 Y s 1371 1902 m 1 Y s 1371 1903 m -1 2 d s 1370 1905 m 2 Y s 1370 1907 m 1 Y s 1370 1908 m 2 Y s 1370 1910 m 1 Y s 1370 1911 m 2 Y s 1370 1913 m 2 Y s 1370 1915 m 1 Y s 1370 1916 m s 1369 1928 m20 1369 1928 m20 1369 1939 m 1 Y s 1369 1940 m 2 Y s 1369 1942 m 1 Y s 1369 1943 m 2 Y s 1369 1945 m 1 Y s 1369 1946 m 2 Y s 1369 1948 m 1 Y s 1369 1949 m 2 Y s 1369 1951 m 2 Y s 1369 1953 m 1 Y s 1369 1954 m 2 Y s 1369 1956 m -1 1 d s 1368 1957 m 2 Y s 1368 1959 m 2 Y s 1368 1961 m 1 Y s 1368 1973 m20 1368 1973 m20 1368 1984 m 2 Y s 1368 1986 m -1 2 d s 1367 1988 m 1 Y s 1367 1989 m 2 Y s 1367 1991 m 1 Y s 1367 1992 m 2 Y s 1367 1994 m 2 Y s 1367 1996 m 1 Y s 1367 1997 m 2 Y s 1367 1999 m 1 Y s 1367 2000 m 2 Y s 1367 2002 m 2 Y s 1367 2004 m 1 Y s 1367 2005 m 2 Y s 1367 2007 m s 1367 2018 m20 1367 2018 m20 1366 2030 m 1 Y s 1366 2031 m 1 Y s 1366 2032 m 2 Y s 1366 2034 m 1 Y s 1366 2035 m 2 Y s 1366 2037 m 2 Y s 1366 2039 m 1 Y s 1366 2040 m 1 Y s 680 794 1361 1247 C 2268 2268 0 0 C 680 794 1361 1247 C 2268 2268 0 0 C gsave 1208 1962 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show gr 680 794 1361 1247 C 2268 2268 0 0 C 680 794 1361 1247 C 2268 2268 0 0 C /xs 0 def (c.) /Times-Roman 48 stwn gsave 2007 1289 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 48 sf 0 0 m (c.) show gr 680 794 1361 1247 C 2268 2268 0 0 C 680 794 1361 1247 C 2268 2268 0 0 C /xs 0 def (CV) /Times-Roman 48 stwn gsave 2007 1332 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 48 sf 0 0 m (CV) show gr 680 794 1361 1247 C 2268 2268 0 0 C 680 794 1361 1247 C 2268 2268 0 0 C /xs 0 def (valence) /Times-Roman 48 stwn gsave 2007 1454 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 48 sf 0 0 m (valence) show gr 680 794 1361 1247 C 2268 2268 0 0 C 680 794 1361 1247 C 2268 2268 0 0 C /xs 0 def (tail) /Times-Roman 48 stwn gsave 2007 1914 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 48 sf 0 0 m (tail) show gr 680 794 1361 1247 C 2268 2268 0 0 C 1 lw 1361 1323 m 11 X s 1383 1323 m 12 X s 1406 1323 m 12 X s 1429 1323 m 11 X s 1452 1323 m 11 X s 1474 1323 m 12 X s 1497 1323 m 11 X s 1520 1323 m 11 X s 1542 1323 m 12 X s 1565 1323 m 11 X s 1588 1323 m 11 X s 1610 1323 m 12 X s 1633 1323 m 11 X s 1656 1323 m 11 X s 1678 1323 m 12 X s 1701 1323 m 11 X s 1724 1323 m 11 X s 1746 1323 m 12 X s 1769 1323 m 11 X s 1792 1323 m 11 X s 1814 1323 m 12 X s 1837 1323 m 11 X s 1860 1323 m 11 X s 1882 1323 m 12 X s 1905 1323 m 11 X s 1928 1323 m 11 X s 1950 1323 m 12 X s 1973 1323 m 11 X s 1996 1323 m 11 X s 2019 1323 m 11 X s 680 794 1361 1247 C 2268 2268 0 0 C 1361 1374 m 11 X s 1383 1374 m 12 X s 1406 1374 m 12 X s 1429 1374 m 11 X s 1452 1374 m 11 X s 1474 1374 m 12 X s 1497 1374 m 11 X s 1520 1374 m 11 X s 1542 1374 m 12 X s 1565 1374 m 11 X s 1588 1374 m 11 X s 1610 1374 m 12 X s 1633 1374 m 11 X s 1656 1374 m 11 X s 1678 1374 m 12 X s 1701 1374 m 11 X s 1724 1374 m 11 X s 1746 1374 m 12 X s 1769 1374 m 11 X s 1792 1374 m 11 X s 1814 1374 m 12 X s 1837 1374 m 11 X s 1860 1374 m 11 X s 1882 1374 m 12 X s 1905 1374 m 11 X s 1928 1374 m 11 X s 1950 1374 m 12 X s 1973 1374 m 11 X s 1996 1374 m 11 X s 2019 1374 m 11 X s 680 794 1361 1247 C 2268 2268 0 0 C 1361 1567 m 11 X s 1383 1567 m 12 X s 1406 1567 m 12 X s 1429 1567 m 11 X s 1452 1567 m 11 X s 1474 1567 m 12 X s 1497 1567 m 11 X s 1520 1567 m 11 X s 1542 1567 m 12 X s 1565 1567 m 11 X s 1588 1567 m 11 X s 1610 1567 m 12 X s 1633 1567 m 11 X s 1656 1567 m 11 X s 1678 1567 m 12 X s 1701 1567 m 11 X s 1724 1567 m 11 X s 1746 1567 m 12 X s 1769 1567 m 11 X s 1792 1567 m 11 X s 1814 1567 m 12 X s 1837 1567 m 11 X s 1860 1567 m 11 X s 1882 1567 m 12 X s 1905 1567 m 11 X s 1928 1567 m 11 X s 1950 1567 m 12 X s 1973 1567 m 11 X s 1996 1567 m 11 X s 2019 1567 m 11 X s 680 794 1361 1247 C NC 680 794 454 227 bl 680 794 454 227 C NC 454 227 m 794 Y s 488 227 m -34 X s 471 280 m -17 X s 471 333 m -17 X s 471 386 m -17 X s 471 438 m -17 X s 488 491 m -34 X s 471 544 m -17 X s 471 597 m -17 X s 471 650 m -17 X s 471 703 m -17 X s 488 756 m -34 X s 471 809 m -17 X s 471 862 m -17 X s 471 915 m -17 X s 471 968 m -17 X s 488 1021 m -34 X s /xs 0 def (0) /Times-Roman 68 stwn gsave 408 204 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 408 469 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 408 733 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 408 998 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr 454 227 m 680 X s 454 261 m -34 Y s 488 244 m -17 Y s 522 244 m -17 Y s 556 244 m -17 Y s 590 244 m -17 Y s 624 261 m -34 Y s 658 244 m -17 Y s 692 244 m -17 Y s 726 244 m -17 Y s 760 244 m -17 Y s 794 261 m -34 Y s 828 244 m -17 Y s 862 244 m -17 Y s 896 244 m -17 Y s 930 244 m -17 Y s 964 261 m -34 Y s 998 244 m -17 Y s 1032 244 m -17 Y s 1066 244 m -17 Y s 1100 244 m -17 Y s 1134 261 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 454 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 624 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 794 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 964 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 1134 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr 680 794 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn gsave 1134 82 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show gr 680 794 454 227 C 3 lw 454 227 m -1 8 d 52 Y 1 11 d 26 Y 1 7 d 8 Y 1 1 d 1 Y -1 Y 1 -4 d 1 X 1 Y 1 4 d 1 5 d 1 Y 1 3 d 1 3 d 2 5 d 2 6 d 1 Y 2 9 d 2 8 d 2 8 d 2 7 d 2 9 d 2 9 d 2 11 d 2 10 d 2 11 d 2 11 d 2 11 d 2 11 d 2 11 d 3 11 d 2 11 d 2 11 d 2 11 d 2 10 d 2 9 d 2 9 d 2 6 d 2 4 d 1 Y 1 1 d 1 1 d 1 X 1 -1 d 1 -2 d 1 -1 d 1 -5 d 1 -2 d 2 -6 d -3 Y 2 -9 d -2 Y 2 -14 d 2 -16 d 2 -17 d 2 -18 d 2 -18 d 2 -17 d 2 -18 d 3 -16 d 2 -15 d 2 -14 d 2 -13 d 2 -11 d 2 -10 d 2 -8 d 2 -7 d 2 -6 d 2 -5 d 2 -4 d 2 -4 d 2 -2 d 2 -2 d 2 -1 d 8 X 2 1 d 2 2 d 2 1 d 2 2 d 3 1 d 2 2 d 2 2 d 2 2 d 2 2 d 2 3 d 2 2 d 2 2 d 2 3 d 2 2 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 2 d 2 3 d 3 2 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 2 d 2 3 d 2 2 d 2 2 d 2 2 d 2 3 d 2 2 d 2 2 d 2 3 d 2 2 d 2 2 d 2 3 d 2 2 d 2 2 d 2 3 d 2 2 d 3 2 d 2 3 d 2 2 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 2 d 2 3 d 2 3 d 2 2 d 2 3 d 2 3 d 2 3 d 3 3 d 2 2 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 3 d 2 4 d 2 3 d 2 3 d 2 3 d 2 3 d 2 4 d 2 3 d 2 3 d 2 4 d 3 3 d 2 3 d 2 4 d 2 3 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 3 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 3 4 d 2 3 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d s 869 715 m 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 3 d 2 4 d 2 4 d 2 3 d 2 4 d 2 4 d 2 3 d 2 4 d 2 4 d 2 4 d 3 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 4 d 2 5 d 2 4 d 2 5 d 2 4 d 2 5 d 2 5 d 2 4 d 2 5 d 2 5 d 2 5 d 2 5 d 2 5 d 2 5 d 3 6 d 2 5 d 2 6 d 2 5 d 2 6 d 2 6 d 2 6 d 2 6 d 2 6 d 2 6 d 2 7 d 2 6 d 2 7 d 2 6 d 2 7 d 2 7 d 2 7 d 2 7 d 2 8 d 2 7 d 2 8 d 2 7 d 3 8 d 2 8 d s 2268 2268 0 0 C 680 794 454 227 C 2268 2268 0 0 C gsave 301 941 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (s) show gr 680 794 454 227 C 2268 2268 0 0 C 680 794 454 227 C 2268 2268 0 0 C gsave 471 894 t 0 r 0 0 m /Times-Roman findfont 48 sf 0 0 m (c.) show gr 680 794 454 227 C 2268 2268 0 0 C 680 794 454 227 C 2268 2268 0 0 C gsave 513 894 t 0 r 0 0 m /Times-Roman findfont 48 sf 0 0 m (CV) show gr 680 794 454 227 C 2268 2268 0 0 C 680 794 454 227 C 2268 2268 0 0 C gsave 590 894 t 0 r 0 0 m /Times-Roman findfont 48 sf 0 0 m (valence) show gr 680 794 454 227 C 2268 2268 0 0 C 680 794 454 227 C 2268 2268 0 0 C gsave 811 894 t 0 r 0 0 m /Times-Roman findfont 48 sf 0 0 m (tail) show gr 680 794 454 227 C 2268 2268 0 0 C 1 lw 513 227 m 22 Y s 513 272 m 23 Y s 513 318 m 22 Y s 513 363 m 23 Y s 513 408 m 23 Y s 513 454 m 22 Y s 513 499 m 23 Y s 513 544 m 23 Y s 513 590 m 22 Y s 513 635 m 23 Y s 513 680 m 23 Y s 513 726 m 22 Y s 513 771 m 23 Y s 513 816 m 23 Y s 513 862 m 23 Y s 513 907 m 23 Y s 513 953 m 22 Y s 513 998 m 23 Y s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 513 1021 m cl s 680 794 454 227 C 2268 2268 0 0 C 572 227 m 22 Y s 572 272 m 23 Y s 572 318 m 22 Y s 572 363 m 23 Y s 572 408 m 23 Y s 572 454 m 22 Y s 572 499 m 23 Y s 572 544 m 23 Y s 572 590 m 22 Y s 572 635 m 23 Y s 572 680 m 23 Y s 572 726 m 22 Y s 572 771 m 23 Y s 572 816 m 23 Y s 572 862 m 23 Y s 572 907 m 23 Y s 572 953 m 22 Y s 572 998 m 23 Y s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 572 1021 m cl s 680 794 454 227 C 2268 2268 0 0 C 786 227 m 22 Y s 786 272 m 23 Y s 786 318 m 22 Y s 786 363 m 23 Y s 786 408 m 23 Y s 786 454 m 22 Y s 786 499 m 23 Y s 786 544 m 23 Y s 786 590 m 22 Y s 786 635 m 23 Y s 786 680 m 23 Y s 786 726 m 22 Y s 786 771 m 23 Y s 786 816 m 23 Y s 786 862 m 23 Y s 786 907 m 23 Y s 786 953 m 22 Y s 786 998 m 23 Y s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 786 1021 m cl s 680 794 454 227 C 2268 2268 0 0 C 454 576 m 11 X s 476 576 m 12 X s 499 576 m 11 X s 522 576 m 11 X s 544 576 m 12 X s 567 576 m 11 X s 590 576 m 11 X s 612 576 m 12 X s 635 576 m 11 X s 658 576 m 11 X s 680 576 m 12 X s 703 576 m 11 X s 726 576 m 11 X s 748 576 m 12 X s 771 576 m 11 X s 794 576 m 11 X s 816 576 m 12 X s 839 576 m 11 X s 862 576 m 11 X s 885 576 m 11 X s 907 576 m 12 X s 930 576 m 11 X s 953 576 m 11 X s 975 576 m 12 X s 998 576 m 11 X s 1021 576 m 11 X s 1043 576 m 12 X s 1066 576 m 11 X s 1089 576 m 11 X s 1111 576 m 12 X s 680 794 454 227 C 2268 2268 0 0 C 454 309 m 11 X s 476 309 m 12 X s 499 309 m 11 X s 522 309 m 11 X s 544 309 m 12 X s 567 309 m 11 X s 590 309 m 11 X s 612 309 m 12 X s 635 309 m 11 X s 658 309 m 11 X s 680 309 m 12 X s 703 309 m 11 X s 726 309 m 11 X s 748 309 m 12 X s 771 309 m 11 X s 794 309 m 11 X s 816 309 m 12 X s 839 309 m 11 X s 862 309 m 11 X s 885 309 m 11 X s 907 309 m 12 X s 930 309 m 11 X s 953 309 m 11 X s 975 309 m 12 X s 998 309 m 11 X s 1021 309 m 11 X s 1043 309 m 12 X s 1066 309 m 11 X s 1089 309 m 11 X s 1111 309 m 12 X s 680 794 454 227 C /w 20 def /w2 {w 2 div} def /w3 {w 3 div} def 513 571 m20 572 306 m20 NC 680 794 1361 227 bl 680 794 1361 227 C NC 1361 227 m 794 Y s 1395 227 m -34 X s 1378 280 m -17 X s 1378 333 m -17 X s 1378 386 m -17 X s 1378 438 m -17 X s 1395 491 m -34 X s 1378 544 m -17 X s 1378 597 m -17 X s 1378 650 m -17 X s 1378 703 m -17 X s 1395 756 m -34 X s 1378 809 m -17 X s 1378 862 m -17 X s 1378 915 m -17 X s 1378 968 m -17 X s 1395 1021 m -34 X s /xs 0 def (0) /Times-Roman 68 stwn gsave 1315 204 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 1315 469 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1315 733 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 1315 998 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr 1361 227 m 680 X s 1361 261 m -34 Y s 1395 244 m -17 Y s 1429 244 m -17 Y s 1463 244 m -17 Y s 1497 244 m -17 Y s 1531 261 m -34 Y s 1565 244 m -17 Y s 1599 244 m -17 Y s 1633 244 m -17 Y s 1667 244 m -17 Y s 1701 261 m -34 Y s 1735 244 m -17 Y s 1769 244 m -17 Y s 1803 244 m -17 Y s 1837 244 m -17 Y s 1871 261 m -34 Y s 1905 244 m -17 Y s 1939 244 m -17 Y s 1973 244 m -17 Y s 2007 244 m -17 Y s 2041 261 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 1361 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1531 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 1701 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr /xs 0 def (6) /Times-Roman 68 stwn gsave 1871 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (6) show gr /xs 0 def (8) /Times-Roman 68 stwn gsave 2041 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (8) show gr 680 794 1361 227 C 2268 2268 0 0 C /xs 0 def (g) /Times-Roman 86 stwn (3) /Times-Roman 60 stwn (\(s\)) /Times-Roman 86 stwn gsave 2041 82 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (g) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (3) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\(s\)) show gr 680 794 1361 227 C 3 lw 1361 228 m 40 Y 1 3 d 1 2 d 1 3 d 2 2 d 3 3 d 5 3 d 8 2 d 13 3 d 21 3 d 32 2 d 48 3 d 69 3 d 90 2 d 104 3 d 103 3 d 84 2 d 50 3 d 16 3 d -8 2 d -20 3 d -25 3 d -22 2 d -17 3 d -12 2 d -7 3 d -2 3 d 2 2 d 5 3 d 9 3 d 13 2 d 13 3 d 14 3 d 10 2 d 8 3 d 5 3 d 3 2 d 3 3 d 4 3 d 4 2 d 6 3 d 6 3 d 7 2 d 5 3 d 5 2 d 3 3 d 1 3 d -1 2 d -3 3 d -5 3 d -6 2 d -8 3 d -8 3 d -10 2 d -9 3 d -10 3 d -9 2 d -10 3 d -9 3 d -9 2 d -9 3 d -9 3 d -9 2 d -8 3 d -9 3 d -8 2 d -8 3 d -7 2 d -8 3 d -8 3 d -7 2 d -7 3 d -7 3 d -8 2 d -6 3 d -7 3 d -7 2 d -7 3 d -7 3 d -6 2 d -6 3 d -7 3 d -6 2 d -6 3 d -6 3 d -6 2 d -6 3 d -5 2 d -5 3 d -6 3 d -5 2 d -4 3 d -5 3 d -4 2 d -4 3 d -3 3 d -4 2 d -3 3 d -2 3 d -2 2 d -2 3 d -1 3 d -1 2 d 1 3 d 1 3 d 2 2 d 4 3 d 5 2 d 7 3 d 8 3 d 11 2 d 12 3 d 12 3 d 9 2 d 3 Y -13 3 d -29 2 d -42 3 d -47 3 d -44 2 d -37 3 d -26 3 d -19 2 d -13 3 d -9 3 d -6 2 d -4 3 d -3 2 d -2 3 d -2 3 d -2 2 d -1 3 d -1 3 d -2 2 d -1 3 d -1 3 d -1 2 d -1 3 d -1 3 d -2 2 d -1 3 d -1 3 d -1 2 d -1 3 d -1 3 d -1 2 d -1 3 d -1 2 d -1 3 d -1 3 d -1 2 d -1 3 d -1 3 d 2 Y -1 3 d -1 3 d -1 2 d -1 3 d -1 3 d -1 2 d -1 3 d -1 3 d -1 2 d -1 3 d 3 Y -1 2 d -1 3 d -1 3 d -1 2 d -1 3 d -1 2 d -1 3 d 3 Y -1 2 d -1 3 d -1 3 d -1 2 d -1 3 d 3 Y -1 2 d -1 3 d -1 3 d -1 2 d 3 Y -1 3 d -1 2 d -1 3 d 3 Y -1 2 d s 1397 766 m -1 3 d 2 Y -1 3 d -1 3 d 2 Y -1 3 d -1 3 d 2 Y -1 3 d 3 Y -1 2 d -1 3 d 3 Y -1 2 d 3 Y -1 3 d 2 Y -1 3 d 3 Y -1 2 d 3 Y -1 2 d 3 Y -1 3 d 5 Y -1 3 d 2 Y -1 3 d 5 Y -1 3 d 5 Y -1 3 d 5 Y -1 3 d 5 Y -1 3 d 8 Y -1 2 d 6 Y -1 2 d 11 Y -1 3 d 10 Y -1 3 d 10 Y -1 3 d 13 Y -1 3 d 16 Y -1 3 d 18 Y -1 3 d 24 Y -1 2 d 8 Y s 2268 2268 0 0 C 1361 228 m 3 Y s 1361 231 m 2 Y s 1361 233 m 3 Y s 1361 236 m 3 Y s 1361 239 m 2 Y s 1361 241 m 3 Y s 1361 244 m 3 Y s 1361 247 m 2 Y s 1361 249 m 2 Y s /w 6 def /w2 {w 2 div} def /w3 {w 3 div} def 1361 262 m20 1361 262 m20 1363 273 m 1 3 d s 1364 276 m 2 2 d s 1366 278 m 3 3 d s 1369 281 m 5 3 d s 1374 284 m 6 2 d s 1391 288 m20 1391 288 m20 1403 290 m 12 2 d s 1415 292 m 10 1 d s 1436 293 m20 1436 293 m20 1448 294 m s 1448 294 m 22 2 d s 1482 296 m20 1482 296 m20 1493 297 m 3 X s 1496 297 m 20 1 d s 1527 298 m20 1527 298 m20 1538 299 m 23 1 d s 1572 300 m20 1572 300 m20 1584 300 m 22 1 d s 1618 301 m20 1618 301 m20 1629 302 m 23 X s 1663 303 m20 1663 303 m20 1674 303 m 23 X s 1708 304 m20 1708 304 m20 1720 304 m 22 1 d s 1754 305 m20 1754 305 m20 1765 305 m 23 1 d s 1799 306 m20 1799 306 m20 1810 306 m 23 1 d s 1844 307 m20 1844 307 m20 1856 307 m 6 1 d s 1862 308 m 16 X s 1890 309 m20 1890 309 m20 1901 309 m 23 1 d s 1935 310 m20 1935 310 m20 1946 310 m 23 1 d s 1980 312 m20 1980 312 m20 1992 313 m 3 X s 1995 313 m 15 2 d s 2010 315 m 1 1 d s 2011 316 m -3 1 d s 1996 319 m20 1996 319 m20 1985 320 m -3 1 d s 1982 321 m -3 X s 1979 321 m -16 2 d s 1951 324 m20 1951 324 m20 1940 325 m -14 1 d s 1926 326 m -8 1 d s 1906 329 m20 1906 329 m20 1895 330 m -10 1 d s 1885 331 m -12 3 d s 1862 336 m20 1862 336 m20 1851 339 m -3 X s 1848 339 m -7 3 d s 1841 342 m -6 3 d s 1835 345 m -4 2 d s 1831 347 m -1 1 d s 1822 356 m20 1822 356 m20 1816 365 m -1 1 d s 1815 366 m -1 3 d s 1814 369 m -2 2 d s 1812 371 m -1 3 d s 1811 374 m -2 3 d s 1809 377 m -2 2 d s 1807 379 m -2 3 d s 1805 382 m -2 2 d s 1795 392 m20 1795 392 m20 1786 398 m -3 2 d s 1783 400 m -5 3 d s 1778 403 m -4 3 d s 1774 406 m -5 2 d s 1769 408 m -3 2 d s 1756 415 m20 1756 415 m20 1745 420 m -4 2 d s 1741 422 m -6 2 d s 1735 424 m -7 3 d s 1728 427 m -3 2 d s 1714 433 m20 1714 433 m20 1704 437 m -1 1 d s 1703 438 m -6 2 d s 1697 440 m -7 3 d s 1690 443 m -6 2 d s 1684 445 m -1 1 d s 1672 450 m20 1672 450 m20 1662 455 m -3 1 d s 1659 456 m -6 3 d s 1653 459 m -5 2 d s 1648 461 m -6 3 d s 1642 464 m -1 X s 1631 469 m20 1631 469 m20 1621 475 m -5 2 d s 1616 477 m -4 3 d s 1612 480 m -5 3 d s 1607 483 m -4 2 d s 1603 485 m -2 1 d s 1592 492 m20 1592 492 m20 1582 498 m s 1582 498 m -4 3 d s 1578 501 m -4 3 d s 1574 504 m -5 2 d s 1569 506 m -5 3 d s 1564 509 m -1 1 d s 1552 514 m20 1552 514 m20 1541 517 m -6 3 d s 1535 520 m -8 2 d s 1527 522 m -6 3 d s 1521 525 m -1 X s 1510 531 m20 1510 531 m20 1501 537 m -1 1 d s 1500 538 m -3 3 d s 1497 541 m -2 3 d s 1495 544 m -3 2 d s 1492 546 m -2 3 d s 1490 549 m -2 2 d s 1488 551 m -2 3 d s 1479 563 m20 1479 563 m20 1473 573 m s 1473 573 m -2 2 d s 1471 575 m -2 3 d s 1469 578 m -1 3 d s 1468 581 m -2 2 d s 1466 583 m -2 3 d s 1464 586 m -1 3 d s 1463 589 m -2 2 d s 1461 591 m 1 Y s 1456 602 m20 1456 602 m20 1451 612 m s 1451 612 m -1 3 d s 1450 615 m -2 3 d s 1448 618 m -1 2 d s 1447 620 m -1 3 d s 1446 623 m -1 3 d s 1445 626 m -1 2 d s 1444 628 m -1 3 d s 1443 631 m -1 2 d s 1438 644 m20 1438 644 m20 1433 654 m 1 Y s 1433 655 m -1 2 d s 1432 657 m -1 3 d s 1431 660 m -1 3 d s 1430 663 m -1 2 d s 1429 665 m -1 3 d s 1428 668 m -1 3 d s 1427 671 m 2 Y s 1427 673 m -1 3 d s 1422 686 m20 1422 686 m20 1418 697 m s 1418 697 m -1 3 d s 1417 700 m 3 Y s 1417 703 m -1 2 d s 1416 705 m -1 3 d s 1415 708 m -1 3 d s 1414 711 m -1 2 d s 1413 713 m -1 3 d s 1412 716 m -1 2 d s 1411 718 m s 1408 729 m20 1408 729 m20 1404 740 m 2 Y s 1404 742 m -1 3 d s 1403 745 m -1 3 d s 1402 748 m -1 2 d s 1401 750 m 3 Y s 1401 753 m -1 3 d s 1400 756 m -1 2 d s 1399 758 m -1 3 d s 1398 761 m 1 Y s 680 794 1361 227 C 2268 2268 0 0 C 1397 766 m -1 3 d s 1396 769 m 2 Y s 1396 771 m -1 3 d s 1395 774 m -1 3 d s 1394 777 m 2 Y s 1394 779 m -1 3 d s 1393 782 m -1 3 d s 1392 785 m 2 Y s 1392 787 m 1 Y s 1389 799 m20 1389 799 m20 1387 810 m 1 Y s 1387 811 m -1 3 d s 1386 814 m 3 Y s 1386 817 m -1 2 d s 1385 819 m 3 Y s 1385 822 m -1 2 d s 1384 824 m 3 Y s 1384 827 m -1 3 d s 1383 830 m 2 Y s 1383 832 m 1 Y s 1381 844 m20 1381 844 m20 1380 855 m 1 Y s 1380 856 m -1 3 d s 1379 859 m 3 Y s 1379 862 m 2 Y s 1379 864 m -1 3 d s 1378 867 m 3 Y s 1378 870 m 2 Y s 1378 872 m -1 3 d s 1377 875 m 2 Y s 1377 877 m 1 Y s 1376 889 m20 1376 889 m20 1375 900 m 1 Y s 1375 901 m 3 Y s 1375 904 m -1 3 d s 1374 907 m 2 Y s 1374 909 m 3 Y s 1374 912 m 3 Y s 1374 915 m 2 Y s 1374 917 m -1 3 d s 1373 920 m 3 Y s 1373 923 m s 1372 934 m20 1372 934 m20 1372 945 m 1 Y s 1372 946 m -1 3 d s 1371 949 m 3 Y s 1371 952 m 2 Y s 1371 954 m 3 Y s 1371 957 m 3 Y s 1371 960 m 2 Y s 1371 962 m 3 Y s 1371 965 m -1 3 d s 1370 968 m s 1370 979 m20 1370 979 m20 1369 991 m s 1369 991 m 3 Y s 1369 994 m 3 Y s 1369 997 m 2 Y s 1369 999 m 3 Y s 1369 1002 m 3 Y s 1369 1005 m 2 Y s 1369 1007 m 3 Y s 1369 1010 m 3 Y s 1369 1013 m -1 X s 680 794 1361 227 C 2268 2268 0 0 C 680 794 1361 227 C 2268 2268 0 0 C gsave 1208 941 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (s) show gr 680 794 1361 227 C 2268 2268 0 0 C 680 794 1361 227 C 2268 2268 0 0 C /xs 0 def (combined) /Times-Roman 48 stwn gsave 1999 491 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 48 sf 0 0 m (combined) show gr 680 794 1361 227 C 2268 2268 0 0 C 680 794 1361 227 C 2268 2268 0 0 C /xs 0 def (tail) /Times-Roman 48 stwn gsave 1999 894 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 48 sf 0 0 m (tail) show gr 680 794 1361 227 C 2268 2268 0 0 C 1 lw 1361 576 m 11 X s 1383 576 m 12 X s 1406 576 m 12 X s 1429 576 m 11 X s 1452 576 m 11 X s 1474 576 m 12 X s 1497 576 m 11 X s 1520 576 m 11 X s 1542 576 m 12 X s 1565 576 m 11 X s 1588 576 m 11 X s 1610 576 m 12 X s 1633 576 m 11 X s 1656 576 m 11 X s 1678 576 m 12 X s 1701 576 m 11 X s 1724 576 m 11 X s 1746 576 m 12 X s 1769 576 m 11 X s 1792 576 m 11 X s 1814 576 m 12 X s 1837 576 m 11 X s 1860 576 m 11 X s 1882 576 m 12 X s 1905 576 m 11 X s 1928 576 m 11 X s 1950 576 m 12 X s 1973 576 m 11 X s 1996 576 m 11 X s 2019 576 m 11 X s 680 794 1361 227 C gr gr showpage end %%EndDocument endTexFig -73 2058 a Fu(FIG.)d(2.)41 b(F)-6 b(our-panel)27 b(plot)h(of)h(densit) n(y)e(v)l(ariables)h(and)g(their)f(dis-)-150 2150 y(tributions)h(for)g (the)g(N)f(atom.)40 b(The)28 b(left)g(t)n(w)n(o)g(panels)h(presen)n(t)e Ft(r)1763 2158 y 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Fm(>)c Fw(5)p Fm(:)p Fw(52,)k(and)g(only)2042 -83 y(1)p Fm(=)p Fw(10th)g(has)g Fm(s)e(>)f Fw(3)p Fm(:)p Fw(24.)41 b(Suc)n(h)29 b(v)-5 b(alues)29 b(for)g Fm(r)3450 -71 y Fh(s)3515 -83 y Fw(v)-5 b(ary)29 b(from)g(atom)2042 12 y(to)36 b(atom,)j(but)e Fm(g)2600 24 y Fn(3)2637 12 y Fw(\()p Fm(s)p Fw(\))h(alw)n(a)n(ys)c (falls)j(abruptly)f(at)h(the)g(b)r(order)2042 108 y(b)r(et)n(w)n(een)c (the)h(com)n(bined)f(and)h(tail)f(regions,)h(and)f(the)h(signi\014-) 2042 203 y(can)n(t)28 b(con)n(tribution)f(v)n(ery)g(rarely)g(extends)h (ab)r(o)n(v)n(e)f(the)h(v)-5 b(alue)28 b(of)2042 299 y Fm(s)23 b Fw(=)f(3.)2125 394 y(Next)i(w)n(e)g(consider)g(the)g(c)n (hange)f(in)i(distribution)f(due)h(to)f(the)2042 490 y(atomization)32 b(of)i(the)g(N)2816 502 y Fn(2)2887 490 y Fw(molecule.)55 b(In)34 b(Fig.)f(3,)i(w)n(e)e(plot)h(the)2042 585 y(di\013erence)g(of)h(the)g(distributions)g(b)r(et)n(w)n(een)g(the) g(t)n(w)n(o)f(isolated)2042 681 y(atoms)27 b(and)g(the)h(molecule.)37 b(In)28 b(the)g(\001)p Fm(g)3321 693 y Fn(1)3358 681 y Fw(\()p Fm(r)3427 693 y Fh(s)3463 681 y Fw(\))g(plot)g(w)n(e)f (observ)n(e)2042 776 y(a)e(shift)i(of)e(electrons)g(from)g(smaller)g (to)h(larger)e Fm(r)3582 788 y Fh(s)3643 776 y Fw(v)-5 b(alues.)36 b(This)2042 872 y(re\015ects)d(the)h(fact)g(that)f(the)h (densit)n(y)g(expands)f(during)g(atom-)2042 967 y(ization.)i(The)24 b(net)h(c)n(harge)d(shifted)j(\(area)e(of)i(the)f(\014rst)g(negativ)n (e)2042 1063 y(p)r(eak\))k(is)g(0.9)f(electrons.)37 b(The)28 b(core)e(electrons)h(remain)h(largely)2042 1158 y(una\013ected,)49 b(since)44 b(the)h(dash-dot)f(core-less)f(line)h(is)h(almost)2042 1254 y(indistinguishable)39 b(from)f(the)i(solid)f(all-electron)e (line.)72 b(No)n(w)2042 1349 y(1)p Fm(=)p Fw(10th)31 b(of)h(an)g(electron)g(has)g Fm(r)3047 1361 y Fh(s)3114 1349 y Fm(>)e Fw(5)p Fm(:)p Fw(02)h(in)i(the)g(con)n(tribution)2042 1445 y(to)26 b(\001)p Fm(g)2251 1457 y Fn(1)2288 1445 y Fw(\()p Fm(s)p Fw(\),)i(while)f(1)p Fm(=)p Fw(10th)e(has)i Fm(s)c(>)f Fw(2)p Fm(:)p Fw(55)k(in)h(the)g(con)n(tribution)2042 1540 y(to)g(\001)p Fm(g)2252 1552 y Fn(3)2289 1540 y Fw(\()p Fm(s)p Fw(\).)2042 1647 y 15476842 15476842 0 0 37298257 37298257 startTexFig 2042 1647 a %%BeginDocument: fig2.eps 80 dict begin /s {stroke} def /l {lineto} def /m {moveto} def /t {translate} def /sw {stringwidth} def /r {rotate} def /rl {roll} def /R {repeat} def /d {rlineto} def /rm {rmoveto} def /gr {grestore} def /f {eofill} def /c {setrgbcolor} def /lw {setlinewidth} def /sd {setdash} def /cl {closepath} def /sf {scalefont setfont} def /black {0 setgray} def /box {m dup 0 exch d exch 0 d 0 exch neg d cl} def /NC{systemdict begin initclip end}def/C{NC box clip newpath}def /bl {box s} def /bf {box f} def /Y { 0 exch d} def /X { 0 d} def /mp {newpath /y exch def /x exch def} def /side {[w .77 mul w .23 mul] .385 w mul sd w 0 l currentpoint t -144 r} def /mr {mp x y w2 0 360 arc} def /m24 {mr s} def /m20 {mr f} def /mb {mp x y w2 add m w2 neg 0 d 0 w neg d w 0 d 0 w d cl} def /mt {mp x y w2 add m w2 neg w neg d w 0 d cl} def /m21 {mb f} def /m25 {mb s} def /m22 {mt f} def /m26 {mt s} def /m23 {mp x y w2 sub m w2 w d w neg 0 d cl f} def /m27 {mp x y w2 add m w3 neg w2 neg d w3 w2 neg d w3 w2 d cl s} def /m28 {mp x w2 sub y w2 sub w3 add m w3 0 d 0 w3 neg d w3 0 d 0 w3 d w3 0 d 0 w3 d w3 neg 0 d 0 w3 d w3 neg 0 d 0 w3 neg d w3 neg 0 d cl s } def /m29 {mp gsave x w2 sub y w2 add w3 sub m currentpoint t 4 {side} repeat cl fill gr} def /m30 {mp gsave x w2 sub y w2 add w3 sub m currentpoint t 5 {side} repeat s gr} def /m31 {mp x y w2 sub m 0 w d x w2 sub y m w 0 d x w2 sub y w2 add m w w neg d x w2 sub y w2 sub m w w d s} def /m2 {mp x y w2 sub m 0 w d x w2 sub y m w 0 d s} def /m5 {mp x w2 sub y w2 sub m w w d x w2 sub y w2 add m w w neg d s} def /DP {/PT exch def gsave 47.2 47.2 scale PT 1 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 > } image } if PT 2 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE > } image } if PT 3 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE > } image } if PT 4 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DF DF BF BF 7F 7F FE FE FD FD FB FB F7 F7 EF EF DF DF BF BF 7F 7F FE FE FD FD FB FB F7 F7 EF EF > } image } if PT 5 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 7F 7F BF B F DF DF EF EF F7 F7 FB FB FD FD FE FE 7F 7F BF BF DF DF EF EF F7 F7 FB FB FD FD FE FE > } image } if PT 6 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB > } image } if PT 7 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 > } image } if PT 8 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 > } image } if PT 9 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 > } image } if PT 10 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 > } image } if PT 11 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F7 F7 B6 B6 D5 D5 E3 E3 D5 D5 B6 B6 F7 F7 FF FF 7F 7F 6B 6B 5D 5D 3E 3E 5D 5D 6B 6B 7F 7F FF FF > } image } if PT 12 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < E3 E3 DD DD BE BE BE BE BE BE DD DD E3 E3 FF FF 3E 3E DD DD EB EB EB EB EB EB DD DD 3E 3E FF FF > } image } if PT 13 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D > } image } if PT 14 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 00 00 EE EF EE EF EE EF 0E E0 EE EE EE EE EE EE 00 EE FE EE FE EE FE EE 00 00 FE EF FE EF FE EF > } image } if PT 15 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF > } image } if PT 16 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF > } image } if PT 17 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF > } image } if PT 18 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF > } image } if PT 19 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 1F FC 67 F3 7B EF BD DE BD DE DE BD E6 B3 F8 0F E6 B3 DE BD BD DE BD DE 7B EF 67 F3 1F FC 7F FF > } image } if PT 20 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB > } image } if PT 21 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE > } image } if PT 22 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F > } image } if PT 23 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 > } image } if PT 24 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC EA A8 D5 54 EA A8 D5 54 E8 28 D4 54 E8 E8 D4 D4 E8 EA 54 D5 A8 EA 54 D5 00 C0 00 80 > } image } if PT 25 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC FF F8 FF F0 F0 00 F0 00 F0 20 F0 60 F0 E0 F1 E0 F3 E0 F0 00 E0 00 C0 00 80 00 00 00 > } image } if gr } def /FA { /PT exch def gsave clip 0 0 translate 1 1 54 { 1 sub 47.2 mul /Xcurr exch def 1 1 74 { 1 sub 47.2 mul /Ycurr exch def gsave Xcurr Ycurr translate PT DP gr } for } for gr } def /reencdict 24 dict def /ReEncode {reencdict begin /nco&na exch def /nfnam exch def /basefontname exch def /basefontdict basefontname findfont def /newfont basefontdict maxlength dict def basefontdict {exch dup /FID ne {dup /Encoding eq {exch dup length array copy newfont 3 1 roll put} {exch newfont 3 1 roll put} ifelse} {pop pop} ifelse } forall newfont /FontName nfnam put nco&na aload pop nco&na length 2 idiv {newfont /Encoding get 3 1 roll put} repeat nfnam newfont definefont pop end } def /accvec [ 176 /agrave 181 /Agrave 190 /acircumflex 192 /Acircumflex 201 /adieresis 204 /Adieresis 209 /ccedilla 210 /Ccedilla 211 /eacute 212 /Eacute 213 /egrave 214 /Egrave 215 /ecircumflex 216 /Ecircumflex 217 /edieresis 218 /Edieresis 219 /icircumflex 220 /Icircumflex 221 /idieresis 222 /Idieresis 223 /ntilde 224 /Ntilde 226 /ocircumflex 228 /Ocircumflex 229 /odieresis 230 /Odieresis 231 /ucircumflex 236 /Ucircumflex 237 /udieresis 238 /Udieresis 239 /aring 242 /Aring 243 /ydieresis 244 /Ydieresis 246 /aacute 247 /Aacute 252 /ugrave 253 /Ugrave] def /Times-Roman /Times-Roman accvec ReEncode /Times-Italic /Times-Italic accvec ReEncode /Times-Bold /Times-Bold accvec ReEncode /Times-BoldItalic /Times-BoldItalic accvec ReEncode /Helvetica /Helvetica accvec ReEncode /Helvetica-Oblique /Helvetica-Oblique accvec ReEncode /Helvetica-Bold /Helvetica-Bold accvec ReEncode /Helvetica-BoldOblique /Helvetica-BoldOblique accvec ReEncode /Courier /Courier accvec ReEncode /Courier-Oblique /Courier-Oblique accvec ReEncode /Courier-Bold /Courier-Bold accvec ReEncode /Courier-BoldOblique /Courier-BoldOblique accvec ReEncode /oshow {gsave [] 0 sd true charpath stroke gr} def /stwn { /fs exch def /fn exch def /text exch def fn findfont fs sf text sw pop xs add /xs exch def} def /stwb { /fs exch def /fn exch def /nbas exch def /textf exch def textf length /tlen exch def nbas tlen gt {/nbas tlen def} if fn findfont fs sf textf dup length nbas sub nbas getinterval sw pop neg xs add /xs exch def} def /accspe [ 65 /plusminus 66 /bar 67 /existential 68 /universal 69 /exclam 70 /numbersign 71 /greater 72 /question 73 /integral 74 /colon 75 /semicolon 76 /less 77 /bracketleft 78 /bracketright 79 /greaterequal 80 /braceleft 81 /braceright 82 /radical 83 /spade 84 /heart 85 /diamond 86 /club 87 /lessequal 88 /multiply 89 /percent 90 /infinity 48 /circlemultiply 49 /circleplus 50 /emptyset 51 /lozenge 52 /bullet 53 /arrowright 54 /arrowup 55 /arrowleft 56 /arrowdown 57 /arrowboth 48 /degree 44 /comma 43 /plus 45 /angle 42 /angleleft 47 /divide 61 /notequal 40 /equivalence 41 /second 97 /approxequal 98 /congruent 99 /perpendicular 100 /partialdiff 101 /florin 102 /intersection 103 /union 104 /propersuperset 105 /reflexsuperset 106 /notsubset 107 /propersubset 108 /reflexsubset 109 /element 110 /notelement 111 /gradient 112 /logicaland 113 /logicalor 114 /arrowdblboth 115 /arrowdblleft 116 /arrowdblup 117 /arrowdblright 118 /arrowdbldown 119 /ampersand 120 /omega1 121 /similar 122 /aleph ] def /Symbol /Special accspe ReEncode gsave .25 .25 scale gsave 0 0 t black [] 0 sd 1 lw 1587 794 454 1247 bl 1587 794 454 1247 C NC 454 1247 m 794 Y s 488 1300 m -34 X s 471 1353 m -17 X s 471 1406 m -17 X s 471 1459 m -17 X s 488 1512 m -34 X s 471 1565 m -17 X s 471 1618 m -17 X s 471 1671 m -17 X s 488 1724 m -34 X s 471 1777 m -17 X s 471 1830 m -17 X s 471 1882 m -17 X s 488 1935 m -34 X s 488 1300 m -34 X s 488 1935 m -34 X s 471 1988 m -17 X s 471 2041 m -17 X s /xs 0 def (-6) /Times-Roman 68 stwn gsave 408 1278 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-6) show gr /xs 0 def (-4) /Times-Roman 68 stwn gsave 408 1489 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-4) show gr /xs 0 def (-2) /Times-Roman 68 stwn gsave 408 1701 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-2) show gr /xs 0 def (0) /Times-Roman 68 stwn gsave 408 1913 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr 454 1247 m 1587 X s 454 1281 m -34 Y s 533 1264 m -17 Y s 612 1264 m -17 Y s 692 1264 m -17 Y s 771 1264 m -17 Y s 851 1281 m -34 Y s 930 1264 m -17 Y s 1009 1264 m -17 Y s 1089 1264 m -17 Y s 1168 1264 m -17 Y s 1247 1281 m -34 Y s 1327 1264 m -17 Y s 1406 1264 m -17 Y s 1486 1264 m -17 Y s 1565 1264 m -17 Y s 1644 1281 m -34 Y s 1724 1264 m -17 Y s 1803 1264 m -17 Y s 1882 1264 m -17 Y s 1962 1264 m -17 Y s 2041 1281 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 454 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 851 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1247 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 1644 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 2041 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr 1587 794 454 1247 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn gsave 2041 1102 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 96 1962 t 0 r 0 0 m /Symbol findfont 86 sf 0 0 m (D) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (g) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (1) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\(r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\)) show gr 1587 794 454 1247 C 3 lw 456 1935 m 8 X 4 1 d 15 X 4 1 d 4 X 4 1 d 4 1 d 4 X 4 1 d 12 X 4 -1 d 4 X 4 -1 d 4 -1 d 4 -1 d 4 X 4 -1 d 4 X 4 -1 d 4 X 4 -1 d 12 X 4 -1 d 20 X 4 -1 d 12 X 4 -1 d 8 X 4 -1 d 3 X 4 -1 d 4 X 4 -1 d 4 -1 d 4 -1 d 4 -1 d 4 -1 d 4 -2 d 4 -2 d 4 -2 d 4 -4 d 4 -4 d 4 -6 d 4 -7 d 3 -8 d 1 -2 d 3 -9 d 1 -5 d 2 -10 d 2 -9 d 2 -11 d 2 -14 d 2 -14 d 2 -19 d 2 -18 d 2 -26 d 2 -24 d 2 -31 d 2 -26 d 2 -39 d 4 -72 d 4 -66 d -5 Y 2 -40 d 2 -18 d -3 Y 2 -23 d 1 -11 d 1 -9 d 1 -8 d 1 -6 d 1 -4 d 1 -1 d 1 -1 d 1 X 2 3 d 1 Y 1 5 d 1 8 d 2 10 d 1 11 d 2 19 d 1 8 d 1 16 d 3 31 d 4 51 d 3 36 d 1 11 d 2 26 d 2 15 d 3 28 d 1 8 d 3 26 d 1 7 d 2 21 d 2 8 d 2 12 d 2 10 d 2 9 d 2 6 d 4 12 d 3 14 d 4 17 d 4 18 d 3 13 d 1 3 d 3 9 d 1 2 d 4 9 d 4 9 d 4 10 d 4 12 d 4 12 d 4 10 d 1 Y 4 6 d 1 Y 4 5 d 4 5 d 4 5 d 4 7 d 4 8 d 4 6 d 4 5 d 4 3 d 4 3 d 4 3 d 4 3 d 4 5 d 4 3 d 4 3 d 4 2 d 4 2 d 4 1 d 4 2 d 4 3 d 4 2 d 4 1 d 4 1 d 4 1 d 4 1 d 4 1 d 4 1 d 4 1 d 4 X 4 1 d 3 1 d 8 X 4 1 d 44 X 4 -1 d 12 X 4 -1 d 8 X 4 -1 d 8 X 4 -1 d 4 X 4 -1 d 4 X 4 -1 d 8 X 4 -1 d 4 X 4 -1 d 4 X 4 -1 d 4 X 4 -1 d 8 X 3 -1 d 4 X 4 -1 d 4 X 4 -1 d 4 X 4 -1 d 4 X 4 -1 d 8 X 4 -1 d 4 X 4 -1 d 4 X 4 -1 d 8 X 4 -1 d 4 X 4 -1 d 8 X 4 -1 d 4 X 4 -1 d 8 X 4 -1 d 8 X 4 -1 d 8 X 4 -1 d 4 X s 1263 1969 m 4 X 4 -1 d 8 X 4 -1 d 7 X 4 -1 d 8 X 4 -1 d 12 X 4 -1 d 8 X 4 -1 d 12 X 4 -1 d 12 X 4 -1 d 12 X 4 -1 d 16 X 4 -1 d 16 X 4 -1 d 16 X 4 -1 d 15 X 4 -1 d 20 X 4 -1 d 24 X 4 -1 d 24 X 4 -1 d 24 X 4 -1 d 32 X 4 -1 d 31 X 4 -1 d 36 X 4 -1 d 40 X 4 -1 d 44 X 4 -1 d 51 X 4 -1 d 56 X 4 -1 d 67 X 4 -1 d 76 X 4 -1 d 32 X s 2070 1943 m 51 X 4 -1 d 94 X 2 -1 d 1 1 d 5 X 2 -1 d 107 X 2 -1 d 3 X 3 1 d 5 X 3 -1 d 118 X 1 -1 d 3 X 1 1 d 12 X 3 -1 d 6 X 3 1 d 5 X 3 -1 d 15 X 1 1 d 1 -1 d 114 X 2 -1 d 4 X 2 1 d 13 X 2 -1 d 9 X 1 1 d 11 X 4 -1 d 9 X 2 1 d 9 X 4 -1 d 10 X 1 1 d 7 X 2 -1 d 16 X 1 1 d 5 X 2 -1 d 18 X 1 1 d 3 X 1 -1 d 56 X s 2268 2268 0 0 C 456 1935 m 4 X s 460 1935 m 4 X s 464 1935 m 4 X s 468 1935 m 3 X s 471 1935 m 4 X s 475 1935 m 3 X s /w 6 def /w2 {w 2 div} def /w3 {w 3 div} def 490 1935 m20 490 1935 m20 501 1935 m 2 X s 503 1935 m 4 X s 507 1935 m 4 X s 511 1935 m 4 X s 515 1935 m 4 X s 519 1935 m 4 X s 523 1935 m 1 X s 535 1935 m20 535 1935 m20 546 1935 m 1 X s 547 1935 m 4 X s 551 1935 m 4 X s 555 1935 m 4 X s 559 1935 m 4 X s 563 1935 m 4 X s 567 1935 m 2 X s 580 1935 m20 580 1935 m20 592 1935 m 3 X s 595 1935 m 4 X s 599 1935 m 4 X s 603 1935 m 4 X s 607 1935 m 4 X s 611 1935 m 3 X s 626 1935 m20 626 1935 m20 637 1935 m 1 X s 638 1935 m 4 X s 642 1935 m 4 X s 646 1935 m 4 -1 d s 650 1934 m 4 X s 654 1934 m 4 -2 d s 658 1932 m 1 X s 668 1925 m20 668 1925 m20 675 1916 m 3 -6 d s 678 1910 m 4 -9 d s 682 1901 m 2 -6 d s 689 1885 m20 689 1885 m20 694 1875 m -1 Y s 694 1874 m 4 -9 d s 698 1865 m -1 Y s 698 1864 m 3 -9 d s 701 1855 m -2 Y s 703 1842 m20 703 1842 m20 705 1831 m 1 -4 d s 706 1827 m 2 -13 d s 708 1814 m -5 Y s 710 1797 m20 710 1797 m20 711 1786 m 1 -9 d s 712 1777 m 1 -13 d s 714 1752 m20 714 1752 m20 715 1741 m 1 -13 d s 716 1728 m -10 Y s 717 1707 m20 717 1707 m20 718 1696 m 1 -23 d s 720 1662 m20 720 1662 m20 721 1650 m 1 -19 d s 722 1631 m -3 Y s 723 1616 m20 723 1616 m20 723 1605 m 2 -22 d s 725 1571 m20 725 1571 m20 726 1560 m -1 Y s 726 1559 m 1 -22 d s 728 1526 m20 728 1526 m20 728 1515 m 2 -22 d s 730 1493 m -1 Y s 730 1481 m20 730 1481 m20 731 1469 m 1 -21 d s 732 1448 m -1 Y s 733 1435 m20 733 1435 m20 734 1424 m 2 -20 d s 736 1404 m -3 Y s 737 1390 m20 737 1390 m20 739 1379 m -3 Y s 739 1376 m 1 -6 d s 740 1370 m 1 -4 d s 741 1366 m 1 -1 d s 742 1365 m 1 -1 d s 743 1364 m 1 1 d s 744 1365 m 2 2 d s 746 1367 m 1 Y s 746 1368 m 1 Y s 748 1381 m20 748 1381 m20 750 1392 m 1 10 d s 751 1402 m 1 12 d s 753 1426 m20 753 1426 m20 754 1437 m 1 8 d s 755 1445 m 1 15 d s 757 1471 m20 757 1471 m20 758 1482 m 2 23 d s 761 1516 m20 761 1516 m20 762 1527 m 2 23 d s 765 1561 m20 765 1561 m20 766 1573 m 1 Y s 766 1574 m 2 21 d s 769 1606 m20 769 1606 m20 770 1618 m 2 22 d s 774 1651 m20 774 1651 m20 775 1663 m 2 14 d s 777 1677 m 1 7 d s 778 1684 m 1 Y s 779 1697 m20 779 1697 m20 781 1708 m 1 5 d s 782 1713 m 2 12 d s 784 1725 m 1 5 d s 787 1741 m20 787 1741 m20 790 1752 m 4 10 d s 794 1762 m 3 12 d s 799 1785 m20 799 1785 m20 802 1796 m 3 15 d s 805 1811 m 2 7 d s 810 1829 m20 810 1829 m20 814 1840 m 3 7 d s 817 1847 m 4 9 d s 821 1856 m 2 4 d s 827 1871 m20 827 1871 m20 830 1882 m 3 8 d s 833 1890 m 4 10 d s 837 1900 m 1 Y s 837 1901 m 1 2 d s 845 1912 m20 845 1912 m20 852 1921 m 1 2 d s 853 1923 m 4 7 d s 857 1930 m 4 8 d s 861 1938 m 2 3 d s 870 1950 m20 870 1950 m20 879 1956 m 2 2 d s 881 1958 m 4 3 d s 885 1961 m 4 5 d s 889 1966 m 4 3 d s 893 1969 m 3 2 d s 906 1976 m20 906 1976 m20 916 1981 m 1 1 d s 917 1982 m 4 2 d s 921 1984 m 4 1 d s 925 1985 m 4 1 d s 929 1986 m 4 1 d s 933 1987 m 4 1 d s 937 1988 m 1 X s 949 1991 m20 949 1991 m20 960 1992 m 1 Y s 960 1993 m 4 X s 964 1993 m 4 X s 968 1993 m 4 1 d s 972 1994 m 4 X s 976 1994 m 4 X s 980 1994 m 3 X s 994 1994 m20 994 1994 m20 1005 1994 m 3 X s 1008 1994 m 4 X s 1012 1994 m 4 X s 1016 1994 m 4 -1 d s 1020 1993 m 4 X s 1024 1993 m 4 X s 1039 1992 m20 1039 1992 m20 1051 1991 m 1 X s 1052 1991 m 4 X s 1056 1991 m 4 -1 d s 1060 1990 m 4 X s 1064 1990 m 4 -1 d s 1068 1989 m 4 X s 1072 1989 m 1 X s 1084 1988 m20 1084 1988 m20 1096 1986 m 4 X s 1100 1986 m 4 -1 d s 1104 1985 m 4 X s 1108 1985 m 4 -1 d s 1112 1984 m 4 X s 1116 1984 m 2 X s 1130 1982 m20 1130 1982 m20 1141 1981 m 2 X s 1143 1981 m 4 -1 d s 1147 1980 m 4 X s 1151 1980 m 4 -1 d s 1155 1979 m 4 X s 1159 1979 m 4 X s 1163 1979 m s 1175 1977 m20 1175 1977 m20 1186 1976 m 1 X s 1187 1976 m 4 X s 1191 1976 m 4 -1 d s 1195 1975 m 4 X s 1199 1975 m 4 -1 d s 1203 1974 m 4 X s 1207 1974 m 1 X s 1220 1973 m20 1220 1973 m20 1231 1972 m 4 -1 d s 1235 1971 m 4 X s 1239 1971 m 4 X s 1243 1971 m 4 -1 d s 1247 1970 m 4 X s 1251 1970 m 3 X s 1587 794 454 1247 C 2268 2268 0 0 C 1263 1969 m 4 X s 1267 1969 m 4 -1 d s 1271 1968 m 4 X s 1275 1968 m 4 X s 1279 1968 m 4 -1 d s 1283 1967 m 2 X s 1297 1966 m20 1297 1966 m20 1308 1965 m 2 X s 1310 1965 m 4 X s 1314 1965 m 4 X s 1318 1965 m 4 -1 d s 1322 1964 m 4 X s 1326 1964 m 4 X s 1330 1964 m s 1342 1963 m20 1342 1963 m20 1353 1962 m 1 X s 1354 1962 m 4 X s 1358 1962 m 4 X s 1362 1962 m 4 -1 d s 1366 1961 m 4 X s 1370 1961 m 4 X s 1374 1961 m 2 X s 1387 1960 m20 1387 1960 m20 1398 1960 m 4 -1 d s 1402 1959 m 4 X s 1406 1959 m 4 X s 1410 1959 m 4 X s 1414 1959 m 4 X s 1418 1959 m 3 -1 d s 1432 1958 m20 1432 1958 m20 1444 1957 m 2 X s 1446 1957 m 3 X s 1449 1957 m 4 X s 1453 1957 m 4 X s 1457 1957 m 4 -1 d s 1461 1956 m 4 X s 1465 1956 m 1 X s 1478 1956 m20 1478 1956 m20 1489 1955 m s 1489 1955 m 4 X s 1493 1955 m 4 X s 1497 1955 m 4 X s 1501 1955 m 4 X s 1505 1955 m 4 X s 1509 1955 m 3 -1 d s 1523 1954 m20 1523 1954 m20 1534 1954 m 3 X s 1537 1954 m 4 -1 d s 1541 1953 m 4 X s 1545 1953 m 4 X s 1549 1953 m 4 X s 1553 1953 m 4 X s 1557 1953 m s 1568 1952 m20 1568 1952 m20 1580 1952 m 1 X s 1581 1952 m 4 X s 1585 1952 m 4 X s 1589 1952 m 4 X s 1593 1952 m 4 X s 1597 1952 m 4 X s 1601 1952 m 1 -1 d s 1614 1951 m20 1614 1951 m20 1625 1951 m 3 X s 1628 1951 m 4 X s 1632 1951 m 4 X s 1636 1951 m 4 -1 d s 1640 1950 m 4 X s 1644 1950 m 4 X s 1659 1950 m20 1659 1950 m20 1670 1950 m 2 X s 1672 1950 m 4 X s 1676 1950 m 4 -1 d s 1680 1949 m 4 X s 1684 1949 m 4 X s 1688 1949 m 4 X s 1692 1949 m 1 X s 1704 1949 m20 1704 1949 m20 1716 1949 m s 1716 1949 m 4 X s 1720 1949 m 4 -1 d s 1724 1948 m 4 X s 1728 1948 m 4 X s 1732 1948 m 4 X s 1736 1948 m 2 X s 1750 1948 m20 1750 1948 m20 1761 1948 m 3 X s 1764 1948 m 4 X s 1768 1948 m 4 -1 d s 1772 1947 m 3 X s 1775 1947 m 4 X s 1779 1947 m 4 X s 1783 1947 m 1 X s 1795 1947 m20 1795 1947 m20 1806 1947 m 1 X s 1807 1947 m 4 X s 1811 1947 m 4 X s 1815 1947 m 4 X s 1819 1947 m 4 X s 1823 1947 m 4 -1 d s 1827 1946 m 2 X s 1840 1946 m20 1840 1946 m20 1852 1946 m 3 X s 1855 1946 m 4 X s 1859 1946 m 4 X s 1863 1946 m 4 X s 1867 1946 m 4 X s 1871 1946 m 3 X s 1886 1946 m20 1886 1946 m20 1897 1945 m 2 X s 1899 1945 m 4 X s 1903 1945 m 4 X s 1907 1945 m 4 X s 1911 1945 m 4 X s 1915 1945 m 4 X s 1919 1945 m 1 X s 1931 1945 m20 1931 1945 m20 1942 1945 m 4 X s 1946 1945 m 4 X s 1950 1945 m 4 X s 1954 1945 m 4 -1 d s 1958 1944 m 4 X s 1962 1944 m 3 X s 1976 1944 m20 1976 1944 m20 1988 1944 m 2 X s 1990 1944 m 4 X s 1994 1944 m 4 X s 1998 1944 m 4 X s 2002 1944 m 4 X s 2006 1944 m 4 X s 2010 1944 m 1 X s 2022 1944 m20 2022 1944 m20 2033 1944 m 1 X s 2034 1944 m 4 -1 d s 2038 1943 m 3 X s 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C 1 lw 644 2041 m -11 Y s 644 2019 m -12 Y s 644 1996 m -11 Y s 644 1973 m -11 Y s 644 1950 m -11 Y s 644 1928 m -12 Y s 644 1905 m -11 Y s 644 1882 m -11 Y s 644 1860 m -12 Y s 644 1837 m -11 Y s 644 1814 m -11 Y s 644 1792 m -12 Y s 644 1769 m -11 Y s 644 1746 m -11 Y s 644 1724 m -12 Y s 644 1701 m -11 Y s 644 1678 m -11 Y s 644 1656 m -12 Y s 644 1633 m -11 Y s 644 1610 m -11 Y s 644 1588 m -12 Y s 644 1565 m -11 Y s 644 1542 m -11 Y s 644 1520 m -12 Y s 644 1497 m -11 Y s 644 1474 m -11 Y s 644 1452 m -12 Y s 644 1429 m -11 Y s 644 1406 m -11 Y s 644 1383 m -11 Y s 644 1361 m -12 Y s 644 1338 m -11 Y s 644 1315 m -11 Y s 644 1293 m -12 Y s 644 1270 m -11 Y s 1587 794 454 1247 C 2268 2268 0 0 C 770 2041 m -11 Y s 770 2019 m -12 Y s 770 1996 m -11 Y s 770 1973 m -11 Y s 770 1950 m -11 Y s 770 1928 m -12 Y s 770 1905 m -11 Y s 770 1882 m -11 Y s 770 1860 m -12 Y s 770 1837 m -11 Y s 770 1814 m -11 Y s 770 1792 m -12 Y s 770 1769 m -11 Y s 770 1746 m -11 Y s 770 1724 m -12 Y s 770 1701 m -11 Y s 770 1678 m -11 Y s 770 1656 m -12 Y s 770 1633 m -11 Y s 770 1610 m -11 Y s 770 1588 m -12 Y s 770 1565 m -11 Y s 770 1542 m -11 Y s 770 1520 m -12 Y s 770 1497 m -11 Y s 770 1474 m -11 Y s 770 1452 m -12 Y s 770 1429 m -11 Y s 770 1406 m -11 Y s 770 1383 m -11 Y s 770 1361 m -12 Y s 770 1338 m -11 Y s 770 1315 m -11 Y s 770 1293 m -12 Y s 770 1270 m -11 Y s 1587 794 454 1247 C 2268 2268 0 0 C 1251 2041 m -11 Y s 1251 2019 m -12 Y s 1251 1996 m -11 Y s 1251 1973 m -11 Y s 1251 1950 m -11 Y s 1251 1928 m -12 Y s 1251 1905 m -11 Y s 1251 1882 m -11 Y s 1251 1860 m -12 Y s 1251 1837 m -11 Y s 1251 1814 m -11 Y s 1251 1792 m -12 Y s 1251 1769 m -11 Y s 1251 1746 m -11 Y s 1251 1724 m -12 Y s 1251 1701 m -11 Y s 1251 1678 m -11 Y s 1251 1656 m -12 Y s 1251 1633 m -11 Y s 1251 1610 m -11 Y s 1251 1588 m -12 Y s 1251 1565 m -11 Y s 1251 1542 m -11 Y s 1251 1520 m -12 Y s 1251 1497 m -11 Y s 1251 1474 m -11 Y s 1251 1452 m -12 Y s 1251 1429 m -11 Y s 1251 1406 m -11 Y s 1251 1383 m -11 Y s 1251 1361 m -12 Y s 1251 1338 m -11 Y s 1251 1315 m -11 Y s 1251 1293 m -12 Y s 1251 1270 m -11 Y s 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 485 1306 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (core) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 654 1306 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (CV) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 890 1306 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (valence) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 1406 1306 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (tail) show gr 1587 794 454 1247 C 2268 2268 0 0 C 454 1935 m 45 X s /w 2 def /w2 {w 2 div} def /w3 {w 3 div} def 522 1935 m20 522 1935 m20 544 1935 m 46 X s 612 1935 m20 612 1935 m20 635 1935 m 45 X s 703 1935 m20 703 1935 m20 726 1935 m 45 X s 794 1935 m20 794 1935 m20 816 1935 m 46 X s 885 1935 m20 885 1935 m20 907 1935 m 46 X s 975 1935 m20 975 1935 m20 998 1935 m 45 X s 1066 1935 m20 1066 1935 m20 1089 1935 m 45 X s 1157 1935 m20 1157 1935 m20 1179 1935 m 46 X s 1247 1935 m20 1247 1935 m20 1270 1935 m 45 X s 1338 1935 m20 1338 1935 m20 1361 1935 m 45 X s 1429 1935 m20 1429 1935 m20 1452 1935 m 45 X s 1520 1935 m20 1520 1935 m20 1542 1935 m 46 X s 1610 1935 m20 1610 1935 m20 1633 1935 m 45 X s 1701 1935 m20 1701 1935 m20 1724 1935 m 45 X s 1792 1935 m20 1792 1935 m20 1814 1935 m 46 X s 1882 1935 m20 1882 1935 m20 1905 1935 m 45 X s 1973 1935 m20 1973 1935 m20 1996 1935 m 45 X s 1587 794 454 1247 C NC 1587 794 454 227 bl 1587 794 454 227 C NC 454 227 m 794 Y s 488 361 m -34 X s 471 405 m -17 X s 471 450 m -17 X s 471 494 m -17 X s 488 539 m -34 X s 471 584 m -17 X s 471 628 m -17 X s 471 673 m -17 X s 488 717 m -34 X s 471 762 m -17 X s 471 807 m -17 X s 471 851 m -17 X s 488 896 m -34 X s 488 361 m -34 X s 471 316 m -17 X s 471 271 m -17 X s 471 227 m -17 X s 488 896 m -34 X s 471 940 m -17 X s 471 985 m -17 X s /xs 0 def (-4) /Times-Roman 68 stwn gsave 408 338 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-4) show gr /xs 0 def (-2) /Times-Roman 68 stwn gsave 408 516 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-2) show gr /xs 0 def (0) /Times-Roman 68 stwn gsave 408 695 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 408 873 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr 454 227 m 1587 X s 454 261 m -34 Y s 559 244 m -17 Y s 665 244 m -17 Y s 771 244 m -17 Y s 877 244 m -17 Y s 983 261 m -34 Y s 1089 244 m -17 Y s 1194 244 m -17 Y s 1300 244 m -17 Y s 1406 244 m -17 Y s 1512 261 m -34 Y s 1618 244 m -17 Y s 1724 244 m -17 Y s 1830 244 m -17 Y s 1935 244 m -17 Y s 2041 261 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 454 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 983 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1512 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 2041 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr 1587 794 454 227 C 2268 2268 0 0 C /xs 0 def (s) /Times-Roman 86 stwn gsave 2041 82 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (s) show gr 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 96 941 t 0 r 0 0 m /Symbol findfont 86 sf 0 0 m (D) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (g) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (3) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\(s\)) show gr 1587 794 454 227 C 3 lw 456 706 m 6 -6 d 5 -8 d 5 -11 d 5 -13 d 6 -14 d 5 -14 d 5 -14 d 6 -15 d 5 -16 d 5 -19 d 6 -21 d 5 -23 d 5 -22 d 5 -19 d 6 -16 d 5 -17 d 4 -14 d 1 -7 d 4 -19 d 2 -8 d 5 -31 d 5 -30 d 4 -16 d 2 -8 d 3 -14 d 2 -5 d 5 -16 d 5 -16 d 5 -14 d 1 -1 d 3 -5 d 1 X 1 1 d 2 3 d 1 6 d 2 8 d 4 Y 2 9 d 1 14 d 2 24 d 1 9 d 1 20 d 2 30 d 2 34 d 2 37 d 2 32 d 1 19 d 3 34 d 1 15 d 1 10 d 1 3 d 1 10 d 2 6 d 1 4 d 1 1 d 1 X 2 -3 d 2 -8 d 5 -19 d 3 -7 d 3 -4 d 2 -1 d 3 2 d 5 6 d 6 4 d 5 1 d 5 2 d 4 4 d 2 4 d 3 8 d 2 5 d 5 16 d 5 12 d 2 Y 4 7 d 2 3 d 5 6 d 5 5 d 6 8 d 5 11 d 5 13 d 6 12 d 5 9 d 5 7 d 5 6 d 6 7 d 5 9 d 5 9 d 6 8 d 5 7 d 5 6 d 6 5 d 5 6 d 5 6 d 6 5 d 5 4 d 5 4 d 5 4 d 6 3 d 5 3 d 5 3 d 6 3 d 5 2 d 5 2 d 6 1 d 5 1 d 5 1 d 5 1 d 6 1 d 26 X 6 -1 d 5 -1 d 5 X 5 -1 d 6 -1 d 5 -1 d 5 -1 d 6 -1 d 5 -1 d 5 -1 d 6 -1 d 5 -2 d 5 -1 d 5 -1 d 6 -2 d 5 -1 d 5 -1 d 6 -2 d 5 -2 d 5 -1 d 6 -2 d 5 -2 d 5 -2 d 5 -2 d 6 -3 d 5 -2 d 5 -4 d 6 -3 d 5 -5 d 5 -5 d 6 -6 d 5 -6 d 5 -6 d 5 -4 d 5 -2 d 1 X 3 1 d 2 2 d 3 4 d 2 4 d 3 7 d 3 7 d 3 11 d 2 10 d 3 16 d 2 11 d 4 22 d 2 10 d 4 30 d 1 7 d 5 40 d 5 36 d 4 Y 4 23 d 2 10 d 2 11 d 2 4 d 1 2 d 2 -1 d 1 -2 d 2 -5 d -4 Y 2 -7 d 1 -11 d 2 -21 d 1 -5 d 1 -13 d 2 -22 d 2 -35 d 5 -77 d 4 -47 d 1 -18 d 1 -3 d 2 -21 d 1 -13 d 2 -11 d 2 -9 d 1 -7 d 2 -5 d 2 -2 d 2 1 d 1 1 d 2 4 d 4 11 d 3 12 d 2 8 d 5 20 d 4 13 d 2 4 d 4 9 d 1 3 d 4 8 d 1 1 d 6 6 d 5 3 d 5 2 d 5 2 d 6 1 d 5 X 5 1 d 22 X 5 1 d 42 X 6 -1 d 26 X 5 -1 d 16 X 6 -1 d 10 X 5 -1 d 6 X 5 -1 d 5 X 6 -1 d 5 X 5 -1 d 6 X 5 -1 d 5 X 6 -1 d 5 X 5 -1 d 5 -1 d 6 X 5 -1 d 5 X 6 -1 d 5 -1 d 5 X 6 -1 d 5 -1 d 5 X 5 -1 d 6 -1 d 5 X 5 -1 d s 1532 747 m 6 X 5 -1 d 5 -1 d 6 X 5 -1 d 5 X 5 -1 d 6 -1 d 5 X 5 -1 d 6 X 5 -1 d 5 X 6 -1 d 5 X 5 -1 d 5 X 6 -1 d 5 X 5 -1 d 11 X 5 -1 d 6 X 5 -1 d 10 X 6 -1 d 10 X 6 -1 d 10 X 6 -1 d 10 X 5 -1 d 16 X 6 -1 d 16 X 5 -1 d 21 X 5 -1 d 27 X 5 -1 d 32 X 5 -1 d 32 X 5 -1 d 48 X 5 -1 d 64 X 5 -1 d 85 X 5 -1 d 128 X 5 -1 d 201 X 6 -1 d 5 X 5 1 d 6 X 5 -1 d 16 X 5 1 d 5 -1 d 106 X s 2608 719 m 159 X 3 -1 d 5 X 1 1 d 27 X 1 -1 d 9 X 2 1 d 25 X 1 -1 d 13 X 1 1 d 19 X 4 -1 d 16 X 1 1 d 16 X 5 -1 d 18 X 2 1 d 18 X 4 -1 d 19 X 1 1 d 14 X 3 -1 d 23 X 2 1 d 14 X 4 -1 d 22 X 2 1 d 15 X 3 -1 d 25 X 1 1 d 13 X 4 -1 d 27 X 1 1 d 15 X 4 -1 d 27 X 1 Y 16 X 5 -1 d 26 X 1 Y 13 X 3 -1 d 15 X 1 -1 d 1 X 1 1 d 15 X 1 1 d 14 X 1 -1 d 14 X -1 Y 4 X 1 1 d 14 X 1 1 d 15 X 3 -1 d 11 X 1 -1 d 6 X 1 1 d 14 X 1 1 d 11 X 3 -1 d 14 X 1 -1 d 8 X 1 Y 15 X 1 1 d 11 X 3 -1 d 13 X 1 -1 d 10 X 1 1 d 14 X 1 1 d 11 X 2 -1 d 13 X 1 -1 d 12 X 1 1 d 15 X 2 1 d 7 X 2 -1 d 15 X 1 -1 d 14 X 2 1 d 13 X 1 1 d 10 X 1 -1 d 1 X s 2268 2268 0 0 C 456 706 m 5 -5 d s 461 701 m 1 -1 d s 462 700 m 4 -7 d s 466 693 m 1 -1 d s 467 692 m 2 -5 d s /w 6 def /w2 {w 2 div} def /w3 {w 3 div} def 474 677 m20 474 677 m20 478 667 m 5 -13 d s 483 654 m 3 -9 d s 490 635 m20 490 635 m20 494 624 m 5 -13 d s 499 611 m 2 -8 d s 505 592 m20 505 592 m20 508 581 m -2 Y s 508 579 m 1 -3 d s 509 576 m 4 -17 d s 516 548 m20 516 548 m20 519 537 m 1 -5 d s 520 532 m 4 -17 d s 527 504 m20 527 504 m20 530 493 m -2 Y s 530 491 m 6 -16 d s 536 475 m 1 -4 d s 540 461 m20 540 461 m20 543 450 m 1 -4 d s 544 446 m 2 -9 d s 546 437 m 2 -9 d s 550 416 m20 550 416 m20 552 405 m 4 -22 d s 558 372 m20 558 372 m20 560 361 m 2 -12 d s 562 349 m 2 -11 d s 567 327 m20 567 327 m20 570 316 m -1 Y s 570 315 m 3 -9 d s 573 306 m 4 -11 d s 580 284 m20 580 284 m20 584 273 m 4 -13 d s 588 260 m 1 -1 d s 589 259 m 2 -5 d s 591 254 m 2 X s 593 254 m s 597 265 m20 597 265 m20 599 276 m s 599 276 m 1 7 d s 600 283 m 2 11 d s 602 294 m 5 Y s 603 310 m20 603 310 m20 604 321 m 1 11 d s 605 332 m 1 12 d s 606 355 m20 606 355 m20 607 366 m 4 Y s 607 370 m 1 19 d s 609 400 m20 609 400 m20 610 412 m 4 Y s 610 416 m 1 18 d s 612 446 m20 612 446 m20 612 457 m 2 23 d s 614 491 m20 614 491 m20 615 502 m 2 Y s 615 504 m 2 21 d s 618 536 m20 618 536 m20 618 547 m 1 5 d s 619 552 m 1 8 d s 620 560 m 1 6 d s 621 566 m 4 Y s 623 581 m20 623 581 m20 628 584 m 3 -8 d s 631 576 m 2 -6 d s 633 570 m 2 -8 d s 639 552 m20 639 552 m20 646 546 m 1 1 d s 647 547 m 2 2 d s 649 549 m 3 3 d s 652 552 m 5 4 d s 657 556 m 1 X s 658 556 m 5 2 d s 663 558 m 2 X s 673 566 m20 673 566 m20 677 576 m 2 4 d s 679 580 m 5 16 d s 684 596 m 1 1 d s 689 608 m20 689 608 m20 694 618 m 1 1 d s 695 619 m 5 6 d s 700 625 m 5 6 d s 705 631 m 4 4 d s 714 645 m20 714 645 m20 718 656 m 3 8 d s 721 664 m 6 11 d s 727 675 m 2 Y s 733 686 m20 733 686 m20 740 695 m 2 3 d s 742 698 m 6 7 d s 748 705 m 5 9 d s 753 714 m s 759 724 m20 759 724 m20 765 733 m 4 5 d s 769 738 m 5 6 d s 774 744 m 6 5 d s 780 749 m 1 Y s 788 758 m20 788 758 m20 796 766 m 5 5 d s 801 771 m 5 4 d s 806 775 m 5 3 d s 811 778 m 3 2 d s 824 786 m20 824 786 m20 834 791 m 4 2 d s 838 793 m 5 2 d s 843 795 m 6 1 d s 849 796 m 5 2 d s 854 798 m 1 X s 866 800 m20 866 800 m20 878 801 m 2 X s 880 801 m 6 X s 886 801 m 5 X s 891 801 m 5 X s 896 801 m 4 X s 912 801 m20 912 801 m20 923 802 m 5 X s 928 802 m 5 1 d s 933 803 m 6 1 d s 939 804 m 5 X s 944 804 m 2 1 d s 957 806 m20 957 806 m20 968 808 m 2 1 d s 970 809 m 6 1 d s 976 810 m 5 X s 981 810 m 5 1 d s 986 811 m 4 X s 1002 812 m20 1002 812 m20 1013 810 m s 1013 810 m 5 -4 d s 1018 806 m 5 -5 d s 1023 801 m 6 -7 d s 1034 784 m20 1034 784 m20 1040 774 m 5 -6 d s 1045 768 m 5 -7 d s 1050 761 m 5 -4 d s 1065 754 m20 1065 754 m20 1076 756 m 6 2 d s 1082 758 m 5 2 d s 1087 760 m 5 2 d s 1092 762 m 5 2 d s 1108 767 m20 1108 767 m20 1120 768 m 4 X s 1124 768 m 5 X s 1129 768 m 6 -1 d s 1135 767 m 5 X s 1140 767 m 2 X s 1154 766 m20 1154 766 m20 1165 766 m 2 X s 1167 766 m 5 X s 1172 766 m 5 -1 d s 1177 765 m 5 X s 1182 765 m 6 X s 1199 765 m20 1199 765 m20 1210 765 m 4 X s 1214 765 m 6 X s 1220 765 m 5 X s 1225 765 m 5 X s 1230 765 m 3 X s 1244 765 m20 1244 765 m20 1256 765 m 1 X s 1257 765 m 5 X s 1262 765 m 5 X s 1267 765 m 6 1 d s 1273 766 m 5 X s 1278 766 m s 1290 766 m20 1290 766 m20 1301 766 m 3 X s 1304 766 m 6 X s 1310 766 m 5 X s 1315 766 m 5 X s 1320 766 m 4 -1 d s 1335 765 m20 1335 765 m20 1347 765 m s 1347 765 m 5 X s 1352 765 m 5 -1 d s 1357 764 m 6 X s 1363 764 m 5 X s 1368 764 m 1 X s 1380 763 m20 1380 763 m20 1392 762 m 2 X s 1394 762 m 6 X s 1400 762 m 5 -1 d s 1405 761 m 5 X s 1410 761 m 4 X s 1426 759 m20 1426 759 m20 1437 758 m 5 X s 1442 758 m 6 -1 d s 1448 757 m 5 X s 1453 757 m 5 -1 d s 1458 756 m 2 X s 1471 755 m20 1471 755 m20 1482 753 m 3 X s 1485 753 m 5 -1 d s 1490 752 m 5 X s 1495 752 m 6 -1 d s 1501 751 m 4 X s 1516 749 m20 1516 749 m20 1527 748 m 5 -1 d s 1587 794 454 227 C 2268 2268 0 0 C 1532 747 m 6 X s 1538 747 m 5 -1 d s 1543 746 m 5 -1 d s 1548 745 m 6 X s 1554 745 m 1 X s 1566 743 m20 1566 743 m20 1577 742 m 3 X s 1580 742 m 5 -1 d s 1585 741 m 6 X s 1591 741 m 5 -1 d s 1596 740 m 4 X s 1611 739 m20 1611 739 m20 1623 738 m 5 -1 d s 1628 737 m 5 X s 1633 737 m 5 -1 d s 1638 736 m 6 X s 1644 736 m 1 X s 1656 735 m20 1656 735 m20 1668 734 m 2 X s 1670 734 m 5 X s 1675 734 m 6 -1 d s 1681 733 m 5 X s 1686 733 m 4 X s 1702 732 m20 1702 732 m20 1713 731 m 5 X s 1718 731 m 5 X s 1723 731 m 5 -1 d s 1728 730 m 6 X s 1734 730 m 2 X s 1747 730 m20 1747 730 m20 1758 729 m 2 X s 1760 729 m 6 X s 1766 729 m 5 -1 d s 1771 728 m 5 X s 1776 728 m 5 X s 1792 728 m20 1792 728 m20 1804 727 m 4 X s 1808 727 m 5 X s 1813 727 m 6 X s 1819 727 m 5 X s 1824 727 m 2 -1 d s 1838 726 m20 1838 726 m20 1849 726 m 1 X s 1850 726 m 6 X s 1856 726 m 5 X s 1861 726 m 5 -1 d s 1866 725 m 6 X s 1872 725 m s 1883 725 m20 1883 725 m20 1894 725 m 4 X s 1898 725 m 5 -1 d s 1903 724 m 6 X s 1909 724 m 5 X s 1914 724 m 3 X s 1928 724 m20 1928 724 m20 1940 724 m s 1940 724 m 6 X s 1946 724 m 5 X s 1951 724 m 5 -1 d s 1956 723 m 6 X s 1962 723 m s 1974 723 m20 1974 723 m20 1985 723 m 3 X s 1988 723 m 5 X s 1993 723 m 6 X s 1999 723 m 5 X s 2004 723 m 4 X s 2019 723 m20 2019 723 m20 2030 722 m 1 X s 2031 722 m 5 X s 2036 722 m 5 X s 2041 722 m cl s 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C 1 lw 1151 1021 m -12 Y s 1151 998 m -11 Y s 1151 975 m -11 Y s 1151 953 m -12 Y s 1151 930 m -11 Y s 1151 907 m -11 Y s 1151 885 m -12 Y s 1151 862 m -11 Y s 1151 839 m -11 Y s 1151 816 m -11 Y s 1151 794 m -12 Y s 1151 771 m -11 Y s 1151 748 m -11 Y s 1151 726 m -12 Y s 1151 703 m -11 Y s 1151 680 m -11 Y s 1151 658 m -12 Y s 1151 635 m -11 Y s 1151 612 m -11 Y s 1151 590 m -12 Y s 1151 567 m -11 Y s 1151 544 m -11 Y s 1151 522 m -12 Y s 1151 499 m -11 Y s 1151 476 m -11 Y s 1151 454 m -12 Y s 1151 431 m -11 Y s 1151 408 m -11 Y s 1151 386 m -12 Y s 1151 363 m -11 Y s 1151 340 m -11 Y s 1151 318 m -12 Y s 1151 295 m -11 Y s 1151 272 m -11 Y s 1151 249 m -11 Y s 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 654 334 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (combined) show gr 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 1406 334 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (tail) show gr 1587 794 454 227 C 2268 2268 0 0 C 454 717 m 45 X s /w 2 def /w2 {w 2 div} def /w3 {w 3 div} def 522 717 m20 522 717 m20 544 717 m 46 X s 612 717 m20 612 717 m20 635 717 m 45 X s 703 717 m20 703 717 m20 726 717 m 45 X s 794 717 m20 794 717 m20 816 717 m 46 X s 885 717 m20 885 717 m20 907 717 m 46 X s 975 717 m20 975 717 m20 998 717 m 45 X s 1066 717 m20 1066 717 m20 1089 717 m 45 X s 1157 717 m20 1157 717 m20 1179 717 m 46 X s 1247 717 m20 1247 717 m20 1270 717 m 45 X s 1338 717 m20 1338 717 m20 1361 717 m 45 X s 1429 717 m20 1429 717 m20 1452 717 m 45 X s 1520 717 m20 1520 717 m20 1542 717 m 46 X s 1610 717 m20 1610 717 m20 1633 717 m 45 X s 1701 717 m20 1701 717 m20 1724 717 m 45 X s 1792 717 m20 1792 717 m20 1814 717 m 46 X s 1882 717 m20 1882 717 m20 1905 717 m 45 X s 1973 717 m20 1973 717 m20 1996 717 m 45 X s 2019 717 m20 2019 717 m20 2041 717 m cl s 2019 717 m20 2019 717 m20 2041 717 m cl s 2019 717 m20 2019 717 m20 2041 717 m cl s 2019 717 m20 2019 717 m20 2041 717 m cl s 2019 717 m20 2019 717 m20 2041 717 m cl s 2019 717 m20 2019 717 m20 2041 717 m cl s 1587 794 454 227 C gr gr showpage end %%EndDocument endTexFig 2119 3668 a Fu(FIG.)c(3.)39 b(Change)19 b(of)g(the)e(distribution)h (functions)h(up)r(on)e(atomiza-)2042 3759 y(tion)i(of)g(the)f(N)2456 3767 y Fq(2)2509 3759 y Fu(molecule.)32 b(In)18 b(the)g(upp)r(er)g (plot,)j(0.9)e(of)h(an)e(electron)h(is)2042 3851 y(shifted;)25 b(in)f(the)g(lo)n(w)n(er)h(plot,)g(1.1)g(is)f(shifted.)35 b(The)24 b(\\regions")i(sho)n(wn)2042 3942 y(here)f(and)h(in)f(Figs.)i (4)f(and)g(5)g(are)g(those)g(for)g(the)g(isolated)h(atom.)2125 4118 y Fw(A)f(lo)r(ok)e(at)i(the)f(lo)n(w)n(er)f(panel)h(for)g(\001)p Fm(g)3298 4130 y Fn(3)3335 4118 y Fw(\()p Fm(s)p Fw(\))h(sho)n(ws)f (that,)h(up)r(on)2042 4213 y(atomization,)38 b(there)e(is)g(a)g(shift)h (of)g(electrons)e(from)h(lo)n(w)n(er)f(to)2042 4309 y(higher)j(v)-5 b(alues)38 b(of)g(the)h(reduced)f(gradien)n(t)g Fm(s)p Fw(.)69 b(\(The)39 b(area)e(of)2042 4404 y(the)28 b(\014rst)f(negativ)n (e)f(p)r(eak)i(is)f(1.1)g(electrons.\))36 b(This)27 b(can)g(b)r(e)h (un-)2042 4500 y(dersto)r(o)r(d)i(as)g(follo)n(ws:)42 b(In)30 b(the)h(tail)g(of)g(an)f(isolated)g(atom,)h(the)2042 4595 y(reduced)23 b(densit)n(y)g(gradien)n(t)f Fm(s)i Fw(go)r(es)e(to)i(in\014nit)n(y)-7 b(.)36 b(The)23 b(electrons)2042 4691 y(in)41 b(the)h(b)r(ond)g(b)r(et)n(w)n(een)f(t)n(w)n(o)g(atoms)g (ha)n(v)n(e)f(smaller)h(reduced)2042 4786 y(gradien)n(ts)23 b(whic)n(h)i(actually)f(v)-5 b(anish)24 b(righ)n(t)g(at)h(the)g(b)r (ond)g(cen)n(ter.)2042 4882 y(The)31 b(wriggle)f(at)h Fm(s)f Fk(\031)e Fw(1)p Fm(:)p Fw(3)j(is)g(an)g(artifact)g(of)g(the)h (distribution)2042 4977 y(function)22 b(due)g(to)f(the)h(sharp)e(c)n (hange)h(in)h Fm(s)f Fw(on)g(passing)g(from)g(the)2042 5073 y(core)e(to)i(the)g(core-v)-5 b(alence)19 b(region.)33 b(Its)21 b(net)g(in)n(tegrated)e(e\013ect)i(is)2042 5168 y(appro)n(ximately)31 b(zero.)52 b(The)33 b(core-less)e(distribution)j (function)2042 5264 y(\001)p Fm(g)2151 5276 y Fn(3)2188 5264 y Fw(\()p Fm(s)p Fw(\))28 b(indicated)f(b)n(y)g(the)h (dashed-dotted)e(line)i(smo)r(othly)f(ig-)2042 5359 y(nores)f(this)i (feature.)1946 5608 y(4)p eop %%Page: 5 5 5 4 bop -67 -83 a Fw(Fig.)38 b(4)g(sho)n(ws)f(the)i(deriv)-5 b(ativ)n(e)38 b(of)g(the)h(distribution)f(func-)-150 12 y(tions)20 b(with)g(resp)r(ect)g(to)g(the)g(b)r(ond)g(length)g(or)f (lattice)h(constan)n(t)f Fm(a)-150 108 y Fw(ev)-5 b(aluated)26 b(at)g(the)h(exp)r(erimen)n(tal)f(v)-5 b(alue)26 b(\()p Fm(a)14 b(dg)s(=da)p Fk(j)1498 120 y Fh(a)p Fn(=)p Fh(a)1621 128 y Fe(0)1657 108 y Fw(\).)37 b(The)-150 203 y(similarit)n(y)29 b(b)r(et)n(w)n(een)g(Figs.)h(3)f(and)g(4)h(is)f(ob)n(vious)g(and)g (natural.)-150 299 y(Note,)i(ho)n(w)n(ev)n(er,)d(that)i(the)h(large-)p Fm(s)d Fw(con)n(tribution)h(of)h(Fig.)g(3)g(is)-150 394 y(suppressed)d(in)h(Fig.)f(4.)-150 510 y 15476842 15476842 0 0 37298257 37298257 startTexFig -150 510 a %%BeginDocument: fig3.eps 80 dict begin /s {stroke} def /l {lineto} def /m {moveto} def /t {translate} def /sw {stringwidth} def /r {rotate} def /rl {roll} def /R {repeat} def /d {rlineto} def /rm {rmoveto} def /gr {grestore} def /f {eofill} def /c {setrgbcolor} def /lw {setlinewidth} def /sd {setdash} def /cl {closepath} def /sf {scalefont setfont} def /black {0 setgray} def /box {m dup 0 exch d exch 0 d 0 exch neg d cl} def /NC{systemdict begin initclip end}def/C{NC box clip newpath}def /bl {box s} def /bf {box f} def /Y { 0 exch d} def /X { 0 d} def /mp {newpath /y exch def /x exch def} def /side {[w .77 mul w .23 mul] .385 w mul sd w 0 l currentpoint t -144 r} def /mr {mp x y w2 0 360 arc} def /m24 {mr s} def /m20 {mr f} def /mb {mp x y w2 add m w2 neg 0 d 0 w neg d w 0 d 0 w d cl} def /mt {mp x y w2 add m w2 neg w neg d w 0 d cl} def /m21 {mb f} def /m25 {mb s} def /m22 {mt f} def /m26 {mt s} def /m23 {mp x y w2 sub m w2 w d w neg 0 d cl f} def /m27 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16 ] { < FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE > } image } if PT 4 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DF DF BF BF 7F 7F FE FE FD FD FB FB F7 F7 EF EF DF DF BF BF 7F 7F FE FE FD FD FB FB F7 F7 EF EF > } image } if PT 5 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 7F 7F BF B F DF DF EF EF F7 F7 FB FB FD FD FE FE 7F 7F BF BF DF DF EF EF F7 F7 FB FB FD FD FE FE > } image } if PT 6 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB > } image } if PT 7 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 > } image } if PT 8 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 > } image } if PT 9 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 EF EF 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PT 16 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF > } image } if PT 17 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF > } image } if PT 18 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF > } image } if PT 19 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 1F FC 67 F3 7B EF BD DE BD DE DE BD E6 B3 F8 0F E6 B3 DE BD BD DE BD DE 7B EF 67 F3 1F FC 7F FF > } image } if PT 20 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB > } image } if PT 21 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE > } image } if PT 22 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 70 70 F7 F7 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471 1477 m -17 X s 488 1512 m -34 X s 471 1547 m -17 X s 471 1583 m -17 X s 471 1618 m -17 X s 471 1653 m -17 X s 488 1688 m -34 X s 471 1724 m -17 X s 471 1759 m -17 X s 471 1794 m -17 X s 471 1830 m -17 X s 488 1865 m -34 X s 471 1900 m -17 X s 471 1935 m -17 X s 471 1971 m -17 X s 471 2006 m -17 X s 488 2041 m -34 X s 488 1336 m -34 X s 471 1300 m -17 X s 471 1265 m -17 X s /xs 0 def (-30) /Times-Roman 68 stwn gsave 408 1313 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-30) show gr /xs 0 def (-20) /Times-Roman 68 stwn gsave 408 1489 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-20) show gr /xs 0 def (-10) /Times-Roman 68 stwn gsave 408 1666 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-10) show gr /xs 0 def (0) /Times-Roman 68 stwn gsave 408 1842 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (10) /Times-Roman 68 stwn gsave 408 2019 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (10) show gr 454 1247 m 1587 X s 454 1281 m -34 Y s 533 1264 m -17 Y s 612 1264 m -17 Y s 692 1264 m -17 Y s 771 1264 m -17 Y s 851 1281 m -34 Y s 930 1264 m -17 Y s 1009 1264 m -17 Y s 1089 1264 m -17 Y s 1168 1264 m -17 Y s 1247 1281 m -34 Y s 1327 1264 m -17 Y s 1406 1264 m -17 Y s 1486 1264 m -17 Y s 1565 1264 m -17 Y s 1644 1281 m -34 Y s 1724 1264 m -17 Y s 1803 1264 m -17 Y s 1882 1264 m -17 Y s 1962 1264 m -17 Y s 2041 1281 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 454 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 851 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1247 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 1644 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 2041 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr 1587 794 454 1247 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn gsave 2041 1102 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 96 1957 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (a dg) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (1) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (/da) show gr 1587 794 454 1247 C 3 lw 458 1865 m 39 X 8 -1 d 8 X 8 -1 d 8 -2 d 8 -1 d 8 -1 d 8 -2 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -2 d 8 -2 d 8 -3 d 8 -4 d 8 -5 d 6 -6 d 2 -2 d 5 -7 d 3 -5 d 5 -10 d 3 -8 d 3 -11 d 3 -11 d 2 -7 d 3 -16 d 2 -17 d 3 -14 d 2 -19 d 3 -25 d 3 -26 d 2 -26 d 3 -38 d 2 -34 d 3 -38 d 5 -72 d -7 Y 2 -29 d 3 -34 d 1 -15 d 1 -10 d 1 -10 d -2 Y 3 -17 d 2 -7 d 1 -4 d 1 -1 d 1 X 1 2 d 2 5 d 1 7 d 1 10 d 1 17 d 2 29 d 3 Y 2 21 d 1 21 d 2 30 d 3 63 d 7 Y 4 73 d 3 55 d 1 24 d 4 63 d 2 32 d 2 26 d 3 32 d 2 27 d 3 28 d 3 28 d 3 17 d 2 15 d 2 Y 3 14 d 3 13 d 2 9 d 3 8 d 5 12 d 5 11 d 3 3 d 3 2 d 4 X 1 -1 d 8 -8 d 8 -5 d 7 -4 d 1 -1 d 8 -12 d 8 -10 d 5 -3 d 3 -2 d 8 -6 d 8 -8 d 8 -6 d 8 -4 d 8 -5 d 8 -5 d 8 -4 d 8 -3 d 7 -4 d 8 -3 d 8 -3 d 8 -3 d 8 -2 d 8 -2 d 8 -3 d 8 -2 d 8 -2 d 8 -1 d 8 -2 d 8 -2 d 8 -1 d 8 -2 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 -1 d 8 X 8 -1 d 8 -1 d 7 X 8 -1 d 8 X 8 -1 d 8 X 8 -1 d 8 X 8 -1 d 8 X 8 -1 d 16 X 8 -1 d 16 X 8 -1 d 24 X 8 -1 d 16 X 8 -1 d 32 X 8 -1 d 31 X 8 -1 d 48 X 8 -1 d 56 X 8 -1 d 64 X 8 -1 d 87 X 8 -1 d 120 X 8 -1 d 191 X 8 -1 d 55 X s 2074 1866 m 358 X 1 -1 d 398 X s 2268 2268 0 0 C 458 1865 m 8 X s 466 1865 m 8 X s 474 1865 m 6 X s /w 6 def /w2 {w 2 div} def /w3 {w 3 div} def 492 1865 m20 492 1865 m20 503 1865 m 2 X s 505 1865 m 8 X s 513 1865 m 8 X s 521 1865 m 5 X s 537 1865 m20 537 1865 m20 548 1865 m 5 X s 553 1865 m 8 X s 561 1865 m 8 X s 569 1865 m 2 X s 582 1865 m20 582 1865 m20 594 1865 m 7 X s 601 1865 m 8 -1 d s 609 1864 m 7 X s 628 1863 m20 628 1863 m20 639 1860 m 2 -1 d s 641 1859 m 6 -3 d s 647 1856 m 2 -1 d s 649 1855 m 5 -6 d s 654 1849 m 2 -3 d s 662 1837 m20 662 1837 m20 666 1826 m 2 -6 d s 668 1820 m 4 -12 d s 672 1808 m 1 -4 d s 675 1793 m20 675 1793 m20 677 1782 m 2 -9 d s 679 1773 m 2 -7 d s 681 1766 m -6 Y s 683 1749 m20 683 1749 m20 685 1738 m 2 -15 d s 687 1723 m 1 -8 d s 689 1704 m20 689 1704 m20 691 1693 m 1 -9 d s 692 1684 m 1 -14 d s 694 1659 m20 694 1659 m20 695 1647 m 2 -11 d s 697 1636 m 1 -11 d s 699 1614 m20 699 1614 m20 699 1602 m 2 -22 d s 702 1568 m20 702 1568 m20 703 1557 m 1 -6 d s 704 1551 m -13 Y s 704 1538 m 1 -4 d s 706 1523 m20 706 1523 m20 706 1512 m 2 -23 d s 709 1478 m20 709 1478 m20 709 1467 m 2 -16 d s 711 1451 m -7 Y s 712 1433 m20 712 1433 m20 713 1421 m 1 -22 d s 715 1387 m20 715 1387 m20 716 1376 m 1 -12 d s 717 1364 m -11 Y s 718 1342 m20 718 1342 m20 720 1331 m -1 Y s 720 1330 m -2 Y s 720 1328 m 3 -16 d s 723 1312 m 1 -3 d s 729 1304 m20 729 1304 m20 731 1315 m 1 2 d s 732 1317 m 1 10 d s 733 1327 m 1 11 d s 734 1349 m20 734 1349 m20 735 1361 m 1 12 d s 736 1373 m 4 Y s 736 1377 m 1 6 d s 738 1395 m20 738 1395 m20 738 1406 m 1 13 d s 739 1419 m 1 10 d s 740 1440 m20 740 1440 m20 741 1451 m 1 23 d s 743 1485 m20 743 1485 m20 743 1497 m 1 16 d s 744 1513 m 6 Y s 745 1531 m20 745 1531 m20 745 1542 m 2 22 d s 747 1576 m20 747 1576 m20 748 1587 m 5 Y s 748 1592 m 1 18 d s 750 1621 m20 750 1621 m20 750 1632 m 1 16 d s 751 1648 m 7 Y s 752 1666 m20 752 1666 m20 753 1678 m 1 22 d s 755 1712 m20 755 1712 m20 755 1723 m 1 12 d s 756 1735 m 1 11 d s 758 1757 m20 758 1757 m20 758 1768 m 2 23 d s 761 1802 m20 761 1802 m20 762 1813 m 1 13 d s 763 1826 m 1 10 d s 765 1847 m20 765 1847 m20 766 1859 m 2 22 d s 768 1881 m s 770 1892 m20 770 1892 m20 771 1904 m 5 Y s 771 1909 m 3 17 d s 774 1926 m s 775 1937 m20 775 1937 m20 777 1949 m 2 8 d s 779 1957 m 3 13 d s 782 1970 m 1 Y s 785 1982 m20 785 1982 m20 789 1992 m 3 7 d s 792 1999 m 5 11 d s 797 2010 m 2 2 d s 809 2013 m20 809 2013 m20 817 2005 m 7 -4 d s 824 2001 m 7 -4 d s 831 1997 m 1 -1 d s 832 1996 m 3 -4 d s 841 1982 m20 841 1982 m20 849 1974 m 7 -5 d s 856 1969 m 8 -6 d s 864 1963 m 3 -3 d s 875 1952 m20 875 1952 m20 885 1946 m 3 -1 d s 888 1945 m 8 -5 d s 896 1940 m 8 -5 d s 904 1935 m s 914 1930 m20 914 1930 m20 925 1925 m 2 -1 d s 927 1924 m 8 -3 d s 935 1921 m 8 -3 d s 943 1918 m 3 -1 d s 957 1914 m20 957 1914 m20 967 1911 m 8 -3 d s 975 1908 m 8 -2 d s 983 1906 m 6 -1 d s 1000 1902 m20 1000 1902 m20 1012 1900 m 3 -1 d s 1015 1899 m 8 -1 d s 1023 1898 m 8 -2 d s 1031 1896 m 3 X s 1045 1894 m20 1045 1894 m20 1056 1893 m 7 -1 d s 1063 1892 m 8 -1 d s 1071 1891 m 8 -1 d s 1090 1888 m20 1090 1888 m20 1101 1887 m 2 X s 1103 1887 m 8 -1 d s 1111 1886 m 8 -1 d s 1119 1885 m 5 X s 1135 1884 m20 1135 1884 m20 1146 1883 m 4 X s 1150 1883 m 8 -1 d s 1158 1882 m 8 X s 1166 1882 m 3 -1 d s 1180 1881 m20 1180 1881 m20 1192 1880 m 6 X s 1198 1880 m 8 -1 d s 1206 1879 m 8 X s 1214 1879 m s 1226 1878 m20 1226 1878 m20 1237 1878 m 1 X s 1238 1878 m 8 -1 d s 1246 1877 m 8 X s 1254 1877 m 6 X s 1271 1876 m20 1271 1876 m20 1282 1876 m 4 X s 1286 1876 m 8 X s 1294 1876 m 8 -1 d s 1302 1875 m 3 X s 1316 1875 m20 1316 1875 m20 1328 1874 m 6 X s 1334 1874 m 8 X s 1342 1874 m 8 X s 1350 1874 m s 1362 1874 m20 1362 1874 m20 1373 1873 m 1 X s 1374 1873 m 7 X s 1381 1873 m 8 X s 1389 1873 m 7 X s 1407 1872 m20 1407 1872 m20 1418 1872 m 3 X s 1421 1872 m 8 X s 1429 1872 m 8 X s 1437 1872 m 4 X s 1452 1872 m20 1452 1872 m20 1464 1871 m 5 X s 1469 1871 m 8 X s 1477 1871 m 8 X s 1485 1871 m 1 X s 1498 1871 m20 1498 1871 m20 1509 1871 m 8 X s 1517 1871 m 8 -1 d s 1525 1870 m 7 X s 1543 1870 m20 1543 1870 m20 1554 1870 m 3 X s 1557 1870 m 8 X s 1565 1870 m 8 X s 1573 1870 m 4 X s 1588 1870 m20 1588 1870 m20 1600 1869 m 4 X s 1604 1869 m 8 X s 1612 1869 m 8 X s 1620 1869 m 2 X s 1634 1869 m20 1634 1869 m20 1645 1869 m 7 X s 1652 1869 m 8 X s 1660 1869 m 8 X s 1679 1869 m20 1679 1869 m20 1691 1868 m 1 X s 1692 1868 m 8 X s 1700 1868 m 8 X s 1708 1868 m 5 X s 1725 1868 m20 1725 1868 m20 1736 1868 m 4 X s 1740 1868 m 8 X s 1748 1868 m 8 X s 1756 1868 m 3 X s 1770 1868 m20 1770 1868 m20 1781 1868 m 7 X s 1788 1868 m 8 X s 1796 1868 m 8 X s 1804 1868 m s 1815 1868 m20 1815 1868 m20 1827 1867 m s 1827 1867 m 8 X s 1835 1867 m 8 X s 1843 1867 m 6 X s 1861 1867 m20 1861 1867 m20 1872 1867 m 3 X s 1875 1867 m 8 X s 1883 1867 m 8 X s 1891 1867 m 4 X s 1906 1867 m20 1906 1867 m20 1917 1867 m 6 X s 1923 1867 m 8 X s 1931 1867 m 8 X s 1939 1867 m 1 X s 1951 1867 m20 1951 1867 m20 1963 1867 m s 1963 1867 m 8 X s 1971 1867 m 8 X s 1979 1867 m 6 X s 1997 1867 m20 1997 1867 m20 2008 1867 m 3 X s 2011 1867 m 8 -1 d s 2019 1866 m 8 X s 2027 1866 m 4 X s 2041 1866 m20 2041 1866 m20 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C 1 lw 644 1247 m 12 Y s 644 1270 m 11 Y s 644 1293 m 11 Y s 644 1315 m 12 Y s 644 1338 m 11 Y s 644 1361 m 11 Y s 644 1383 m 12 Y s 644 1406 m 11 Y s 644 1429 m 11 Y s 644 1452 m 11 Y s 644 1474 m 12 Y s 644 1497 m 11 Y s 644 1520 m 11 Y s 644 1542 m 12 Y s 644 1565 m 11 Y s 644 1588 m 11 Y s 644 1610 m 12 Y s 644 1633 m 11 Y s 644 1656 m 11 Y s 644 1678 m 12 Y s 644 1701 m 11 Y s 644 1724 m 11 Y s 644 1746 m 12 Y s 644 1769 m 11 Y s 644 1792 m 11 Y s 644 1814 m 12 Y s 644 1837 m 11 Y s 644 1860 m 11 Y s 644 1882 m 12 Y s 644 1905 m 11 Y s 644 1928 m 11 Y s 644 1950 m 12 Y s 644 1973 m 11 Y s 644 1996 m 11 Y s 644 2019 m 11 Y s 1587 794 454 1247 C 2268 2268 0 0 C 770 1247 m 12 Y s 770 1270 m 11 Y s 770 1293 m 11 Y s 770 1315 m 12 Y s 770 1338 m 11 Y s 770 1361 m 11 Y s 770 1383 m 12 Y s 770 1406 m 11 Y s 770 1429 m 11 Y s 770 1452 m 11 Y s 770 1474 m 12 Y s 770 1497 m 11 Y s 770 1520 m 11 Y s 770 1542 m 12 Y s 770 1565 m 11 Y s 770 1588 m 11 Y s 770 1610 m 12 Y s 770 1633 m 11 Y s 770 1656 m 11 Y s 770 1678 m 12 Y s 770 1701 m 11 Y s 770 1724 m 11 Y s 770 1746 m 12 Y s 770 1769 m 11 Y s 770 1792 m 11 Y s 770 1814 m 12 Y s 770 1837 m 11 Y s 770 1860 m 11 Y s 770 1882 m 12 Y s 770 1905 m 11 Y s 770 1928 m 11 Y s 770 1950 m 12 Y s 770 1973 m 11 Y s 770 1996 m 11 Y s 770 2019 m 11 Y s 1587 794 454 1247 C 2268 2268 0 0 C 1251 1247 m 12 Y s 1251 1270 m 11 Y s 1251 1293 m 11 Y s 1251 1315 m 12 Y s 1251 1338 m 11 Y s 1251 1361 m 11 Y s 1251 1383 m 12 Y s 1251 1406 m 11 Y s 1251 1429 m 11 Y s 1251 1452 m 11 Y s 1251 1474 m 12 Y s 1251 1497 m 11 Y s 1251 1520 m 11 Y s 1251 1542 m 12 Y s 1251 1565 m 11 Y s 1251 1588 m 11 Y s 1251 1610 m 12 Y s 1251 1633 m 11 Y s 1251 1656 m 11 Y s 1251 1678 m 12 Y s 1251 1701 m 11 Y s 1251 1724 m 11 Y s 1251 1746 m 12 Y s 1251 1769 m 11 Y s 1251 1792 m 11 Y s 1251 1814 m 12 Y s 1251 1837 m 11 Y s 1251 1860 m 11 Y s 1251 1882 m 12 Y s 1251 1905 m 11 Y s 1251 1928 m 11 Y s 1251 1950 m 12 Y s 1251 1973 m 11 Y s 1251 1996 m 11 Y s 1251 2019 m 11 Y s 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 485 1962 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (core) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 654 1962 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (CV) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 890 1962 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (valence) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 1406 1962 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (tail) show gr 1587 794 454 1247 C 2268 2268 0 0 C 454 1865 m 45 X s /w 2 def /w2 {w 2 div} def /w3 {w 3 div} def 522 1865 m20 522 1865 m20 544 1865 m 46 X s 612 1865 m20 612 1865 m20 635 1865 m 45 X s 703 1865 m20 703 1865 m20 726 1865 m 45 X s 794 1865 m20 794 1865 m20 816 1865 m 46 X s 885 1865 m20 885 1865 m20 907 1865 m 46 X s 975 1865 m20 975 1865 m20 998 1865 m 45 X s 1066 1865 m20 1066 1865 m20 1089 1865 m 45 X s 1157 1865 m20 1157 1865 m20 1179 1865 m 46 X s 1247 1865 m20 1247 1865 m20 1270 1865 m 45 X s 1338 1865 m20 1338 1865 m20 1361 1865 m 45 X s 1429 1865 m20 1429 1865 m20 1452 1865 m 45 X s 1520 1865 m20 1520 1865 m20 1542 1865 m 46 X s 1610 1865 m20 1610 1865 m20 1633 1865 m 45 X s 1701 1865 m20 1701 1865 m20 1724 1865 m 45 X s 1792 1865 m20 1792 1865 m20 1814 1865 m 46 X s 1882 1865 m20 1882 1865 m20 1905 1865 m 45 X s 1973 1865 m20 1973 1865 m20 1996 1865 m 45 X s 1587 794 454 1247 C NC 1587 794 454 227 bl 1587 794 454 227 C NC 454 227 m 794 Y s 488 284 m -34 X s 471 312 m -17 X s 471 340 m -17 X s 471 369 m -17 X s 471 397 m -17 X s 488 425 m -34 X s 471 454 m -17 X s 471 482 m -17 X s 471 510 m -17 X s 471 539 m -17 X s 488 567 m -34 X s 471 595 m -17 X s 471 624 m -17 X s 471 652 m -17 X s 471 680 m -17 X s 488 709 m -34 X s 471 737 m -17 X s 471 765 m -17 X s 471 794 m -17 X s 471 822 m -17 X s 488 851 m -34 X s 471 879 m -17 X s 471 907 m -17 X s 471 936 m -17 X s 471 964 m -17 X s 488 992 m -34 X s 488 284 m -34 X s 471 255 m -17 X s 488 992 m -34 X s /xs 0 def (-5) /Times-Roman 68 stwn gsave 408 261 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-5) show gr /xs 0 def (-2.5) /Times-Roman 68 stwn gsave 408 403 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (-2.5) show gr /xs 0 def (0) /Times-Roman 68 stwn gsave 408 544 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (2.5) /Times-Roman 68 stwn gsave 408 686 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2.5) show gr /xs 0 def (5) /Times-Roman 68 stwn gsave 408 828 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (5) show gr /xs 0 def (7.5) /Times-Roman 68 stwn gsave 408 970 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (7.5) show gr 454 227 m 1587 X s 454 261 m -34 Y s 559 244 m -17 Y s 665 244 m -17 Y s 771 244 m -17 Y s 877 244 m -17 Y s 983 261 m -34 Y s 1089 244 m -17 Y s 1194 244 m -17 Y s 1300 244 m -17 Y s 1406 244 m -17 Y s 1512 261 m -34 Y s 1618 244 m -17 Y s 1724 244 m -17 Y s 1830 244 m -17 Y s 1935 244 m -17 Y s 2041 261 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 454 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 983 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1512 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 2041 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr 1587 794 454 227 C 2268 2268 0 0 C /xs 0 def (s) /Times-Roman 86 stwn gsave 2041 82 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (s) show gr 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 96 907 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (a dg) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (3) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (/da) show gr 1587 794 454 227 C 3 lw 459 529 m 7 -8 d 4 -5 d 7 -6 d 3 -2 d 5 X 5 2 d 1 X 4 4 d 6 8 d 11 13 d 11 10 d 10 9 d 11 11 d 10 13 d 11 12 d 11 16 d 4 8 d 4 6 d 2 2 d 4 X 2 -1 d 3 -2 d 2 -4 d 2 -6 d 2 -8 d 2 -13 d 5 -25 d 2 -15 d 2 -22 d 6 -54 d 11 -100 d 6 -50 d 2 -11 d 2 -10 d -4 Y 4 -12 d 2 -7 d 2 -4 d 2 -2 d 3 X 2 4 d 3 6 d 4 13 d 2 9 d 3 15 d 5 22 d 10 43 d 1 3 d 8 30 d 3 11 d 7 27 d 3 10 d 7 19 d 4 11 d 5 12 d 5 10 d 7 10 d 4 5 d 11 12 d 10 10 d 11 8 d 9 4 d 1 1 d 11 2 d 11 1 d 10 2 d 11 2 d 11 1 d 10 X 11 -1 d 10 -2 d 11 -1 d 11 -1 d 10 -2 d 11 -2 d 11 -2 d 10 -2 d 11 -2 d 10 -4 d 11 -4 d 11 -6 d 10 -7 d 11 -10 d 8 -9 d 2 -3 d 8 -11 d 3 -5 d 7 -14 d 4 -8 d 8 -19 d 2 -7 d 11 -29 d 8 -20 d 3 -5 d 4 -5 d 3 -1 d 2 X 1 1 d 3 4 d 2 7 d 3 11 d 3 13 d 2 10 d 2 15 d 3 26 d 3 27 d 3 24 d 7 65 d 1 13 d 6 58 d 3 24 d 2 11 d 3 24 d 3 20 d 4 20 d 4 19 d 5 19 d 2 5 d 5 17 d 6 16 d 10 28 d 7 20 d 4 14 d 4 14 d 4 14 d 2 7 d 1 Y 4 7 d 3 3 d 2 1 d 2 -1 d 2 -4 d 2 -5 d 2 -10 d 5 -21 d 2 -13 d 2 -17 d 6 -50 d 11 -87 d 5 -39 d 4 -19 d 2 -11 d 3 -18 d 4 -15 d 3 -13 d 4 -13 d 5 -11 d 2 -4 d 5 -9 d 5 -8 d 7 -6 d 4 -4 d 9 -4 d 2 -1 d 10 -4 d 11 -2 d 10 -1 d 11 -1 d 53 X 11 1 d 10 X 11 1 d 11 X 10 1 d 22 X 10 1 d 21 X 11 1 d 32 X 10 1 d 75 X 10 1 d 999 X s 2615 567 m 38 X 1 1 d 2 X 1 -1 d 28 X 1 1 d 6 X 8 -1 d 21 X 1 1 d 4 X 2 -1 d 116 X 1 1 d 8 X 6 -1 d 24 X 2 1 d 10 X 4 -1 d 21 X 1 1 d 17 X -1 Y 22 X 1 1 d 16 X 1 -1 d 22 X 2 1 d 11 X 4 -1 d 27 X 1 1 d 8 X 1 -1 d 25 X 1 Y 14 X 1 -1 d 24 X 1 1 d 19 X 1 -1 d 23 X 1 Y 23 X -1 Y 3 X 5 -1 d 13 X 1 Y 3 X 1 Y 20 X 1 -1 d 3 X -1 Y 16 X 2 1 d 3 X 1 1 d 24 X -1 Y 5 X 4 -1 d 14 X 1 Y 4 X 1 Y 20 X 1 -1 d 4 X -1 Y 18 X 1 1 d 6 X 1 Y 20 X 1 -1 d 11 X 1 -1 d 5 X 1 1 d 16 X 3 1 d 11 X 7 -1 d 37 X 1 1 d 15 X 2 -1 d 39 X 1 1 d 16 X 2 -1 d 36 X 2 1 d 13 X 6 -1 d 21 X s 2268 2268 0 0 C 459 529 m 5 -6 d s 464 523 m 6 -7 d s 470 516 m 4 -4 d s /w 6 def /w2 {w 2 div} def /w3 {w 3 div} def 484 508 m20 484 508 m20 494 513 m s 494 513 m 7 9 d s 501 522 m 7 8 d s 516 538 m20 516 538 m20 524 546 m 9 8 d s 533 554 m 8 7 d s 548 570 m20 548 570 m20 555 579 m 10 11 d s 565 590 m 4 7 d s 576 606 m20 576 606 m20 581 616 m 2 2 d s 583 618 m 2 3 d s 585 621 m 1 1 d s 586 622 m 3 X s 589 622 m 3 -1 d s 592 621 m 2 -2 d s 594 619 m 2 -3 d s 596 616 m 1 -1 d s 597 615 m -1 Y s 601 603 m20 601 603 m20 603 592 m 3 -22 d s 608 559 m20 608 559 m20 610 547 m 2 -17 d s 612 530 m 1 -5 d s 614 514 m20 614 514 m20 615 502 m 2 -22 d s 619 468 m20 619 468 m20 620 457 m 2 -22 d s 623 423 m20 623 423 m20 625 412 m 2 -22 d s 628 378 m20 628 378 m20 629 367 m 3 -20 d s 632 347 m -3 Y s 633 333 m20 633 333 m20 635 322 m -4 Y s 635 318 m 2 -8 d s 637 310 m 1 -8 d s 638 302 m 1 -2 d s 642 289 m20 642 289 m20 645 278 m 1 -1 d s 646 277 m 1 -3 d s 647 274 m 2 -2 d s 649 272 m 1 X s 650 272 m 2 X s 652 272 m 1 2 d s 653 274 m 2 4 d s 655 278 m 2 6 d s 661 295 m20 661 295 m20 664 306 m 1 5 d s 665 311 m 3 17 d s 671 339 m20 671 339 m20 673 350 m 5 22 d s 681 383 m20 681 383 m20 683 394 m 5 21 d s 688 415 m 1 1 d s 692 427 m20 692 427 m20 695 438 m 4 17 d s 699 455 m 2 5 d s 704 471 m20 704 471 m20 708 482 m 1 3 d s 709 485 m 4 12 d s 713 497 m 1 2 d s 714 499 m 2 4 d s 720 513 m20 720 513 m20 725 523 m 5 8 d s 730 531 m 5 8 d s 735 539 m 3 3 d s 745 551 m20 745 551 m20 753 559 m 2 3 d s 755 562 m 1 1 d s 756 563 m 8 8 d s 764 571 m 3 2 d s 767 573 m 2 2 d s 780 579 m20 780 579 m20 791 582 m 8 1 d s 799 583 m 10 2 d s 809 585 m 4 1 d s 824 588 m20 824 588 m20 835 590 m 6 1 d s 841 591 m 11 2 d s 852 593 m 6 1 d s 868 598 m20 868 598 m20 879 603 m 2 1 d s 881 604 m 3 2 d s 884 606 m 8 6 d s 892 612 m 2 2 d s 894 614 m 2 2 d s 904 625 m20 904 625 m20 912 633 m 4 4 d s 916 637 m 10 11 d s 926 648 m 2 1 d s 937 656 m20 937 656 m20 946 663 m 1 X s 947 663 m 7 3 d s 954 666 m 4 2 d s 958 668 m 7 X s 965 668 m 3 X s 979 668 m20 979 668 m20 990 670 m 10 4 d s 1000 674 m 11 2 d s 1011 676 m 1 X s 1023 677 m20 1023 677 m20 1034 678 m 8 1 d s 1042 679 m 1 1 d s 1043 680 m 11 3 d s 1054 683 m 2 1 d s 1067 687 m20 1067 687 m20 1078 686 m 2 X s 1080 686 m 5 -3 d s 1085 683 m -1 Y s 1085 682 m 5 -4 d s 1090 678 m 5 -6 d s 1102 662 m20 1102 662 m20 1109 653 m 8 -11 d s 1117 642 m 6 -6 d s 1131 628 m20 1131 628 m20 1140 621 m 9 -7 d s 1149 614 m 10 -5 d s 1169 604 m20 1169 604 m20 1179 599 m 2 -1 d s 1181 598 m 11 -5 d s 1192 593 m 8 -4 d s 1210 585 m20 1210 585 m20 1221 580 m 3 -1 d s 1224 579 m 10 -4 d s 1234 575 m 8 -3 d s 1253 569 m20 1253 569 m20 1264 566 m 2 X s 1266 566 m 11 -2 d s 1277 564 m 9 -2 d s 1297 561 m20 1297 561 m20 1309 560 m 10 X s 1319 560 m 11 X s 1330 560 m 1 X s 1343 560 m20 1343 560 m20 1354 560 m 8 X s 1362 560 m 10 X s 1372 560 m 5 1 d s 1388 561 m20 1388 561 m20 1399 561 m 5 1 d s 1404 562 m 11 X s 1415 562 m 7 X s 1433 563 m20 1433 563 m20 1445 563 m 2 X s 1447 563 m 10 1 d s 1457 564 m 10 X s 1479 564 m20 1479 564 m20 1490 565 m 10 X s 1500 565 m 10 X s 1510 565 m 3 X s 1524 565 m20 1524 565 m20 1535 566 m 7 X s 1542 566 m 11 X s 1553 566 m 5 X s 1569 566 m20 1569 566 m20 1581 566 m 4 X s 1585 566 m 10 X s 1595 566 m 8 X s 1615 567 m20 1615 567 m20 1626 567 m 1 X s 1627 567 m 11 X s 1638 567 m 10 X s 1648 567 m 1 X s 1660 567 m20 1660 567 m20 1671 567 m 9 X s 1680 567 m 11 X s 1691 567 m 3 X s 1706 567 m20 1706 567 m20 1717 567 m 6 X s 1723 567 m 10 X s 1733 567 m 7 X s 1751 567 m20 1751 567 m20 1762 567 m 3 X s 1765 567 m 11 X s 1776 567 m 9 X s 1796 567 m20 1796 567 m20 1808 567 m 10 X s 1818 567 m 11 X s 1829 567 m 1 X s 1842 567 m20 1842 567 m20 1853 567 m 8 X s 1861 567 m 10 X s 1871 567 m 5 X s 1887 567 m20 1887 567 m20 1898 567 m 5 X s 1903 567 m 11 X s 1914 567 m 7 X s 1932 567 m20 1932 567 m20 1944 567 m 2 X s 1946 567 m 10 X s 1956 567 m 10 X s 1978 567 m20 1978 567 m20 1989 567 m 10 X s 1999 567 m 10 X s 2009 567 m 3 X s 2023 567 m20 2023 567 m20 2034 567 m 7 X s 2041 567 m cl s 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C 1 lw 1151 227 m 11 Y s 1151 249 m 12 Y s 1151 272 m 12 Y s 1151 295 m 11 Y s 1151 318 m 11 Y s 1151 340 m 12 Y s 1151 363 m 11 Y s 1151 386 m 11 Y s 1151 408 m 12 Y s 1151 431 m 11 Y s 1151 454 m 11 Y s 1151 476 m 12 Y s 1151 499 m 11 Y s 1151 522 m 11 Y s 1151 544 m 12 Y s 1151 567 m 11 Y s 1151 590 m 11 Y s 1151 612 m 12 Y s 1151 635 m 11 Y s 1151 658 m 11 Y s 1151 680 m 12 Y s 1151 703 m 11 Y s 1151 726 m 11 Y s 1151 748 m 12 Y s 1151 771 m 11 Y s 1151 794 m 11 Y s 1151 816 m 12 Y s 1151 839 m 11 Y s 1151 862 m 11 Y s 1151 885 m 11 Y s 1151 907 m 12 Y s 1151 930 m 11 Y s 1151 953 m 11 Y s 1151 975 m 12 Y s 1151 998 m 11 Y s 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 654 924 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (combined) show gr 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 1406 924 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (tail) show gr 1587 794 454 227 C 2268 2268 0 0 C 454 567 m 45 X s /w 2 def /w2 {w 2 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b(and)e(b)l(ehavior)-67 4661 y Fw(The)19 b(a)n(v)n(erage)d(v)-5 b(alue)18 b(of)h(the)g(reduced) f(densit)n(y)h(gradien)n(t)e Fk(h)p Fm(s)p Fk(i)i Fw(of)-150 4756 y(Eq.)j(\(6c\))g(is)g(a)f(measure)g(of)i(the)f(inhomogeneit)n(y)f (of)h(the)h(system.)-150 4852 y(F)-7 b(or)26 b(a)g(homogeneous)e (electron)i(gas)f(its)h(v)-5 b(alue)27 b(is)f(exactly)f(zero,)-150 4947 y(and)f(it)g(increases)f(with)h(increasing)f(departure)g(of)h(the) g(electron)-150 5043 y(densit)n(y)30 b(from)g(the)g(homogeneous)f (limit.)45 b(So)30 b(w)n(e)g(exp)r(ect)g(that)-150 5138 y Fk(h)p Fm(s)p Fk(i)21 b Fw(increases)e(when)i(w)n(e)g(atomize)f(a)g (molecule)g(or)g(solid,)i(stretc)n(h)-150 5233 y(a)i(molecular)e(b)r (ond)j(or)e(lattice)h(constan)n(t,)g(or)f(distort)g(a)h(solid)g(to)-150 5329 y(a)j(more)g(op)r(en)h(crystal)e(structure.)2042 -166 y 15476842 15476842 0 0 37298257 37298257 startTexFig 2042 -166 a %%BeginDocument: fig4.eps 80 dict begin /s {stroke} def /l {lineto} def /m {moveto} def /t {translate} def /sw 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FE 00 00 EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 > } image } if PT 11 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F7 F7 B6 B6 D5 D5 E3 E3 D5 D5 B6 B6 F7 F7 FF FF 7F 7F 6B 6B 5D 5D 3E 3E 5D 5D 6B 6B 7F 7F FF FF > } image } if PT 12 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < E3 E3 DD DD BE BE BE BE BE BE DD DD E3 E3 FF FF 3E 3E DD DD EB EB EB EB EB EB DD DD 3E 3E FF FF > } image } if PT 13 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D > } image } if PT 14 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 00 00 EE EF EE EF EE EF 0E E0 EE EE EE EE EE EE 00 EE FE EE FE EE FE EE 00 00 FE EF FE EF FE EF > } image } if PT 15 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF > } image } if PT 16 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF > } image } if PT 17 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF > } image } if PT 18 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF > } image } if PT 19 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 1F FC 67 F3 7B EF BD DE BD DE DE BD E6 B3 F8 0F E6 B3 DE BD BD DE BD DE 7B EF 67 F3 1F FC 7F FF > } image } if PT 20 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB > } image } if PT 21 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE > } image } if PT 22 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F > } image } if PT 23 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 > } image } if PT 24 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC EA A8 D5 54 EA A8 D5 54 E8 28 D4 54 E8 E8 D4 D4 E8 EA 54 D5 A8 EA 54 D5 00 C0 00 80 > } image } if PT 25 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC FF F8 FF F0 F0 00 F0 00 F0 20 F0 60 F0 E0 F1 E0 F3 E0 F0 00 E0 00 C0 00 80 00 00 00 > } image } if gr } def /FA { /PT exch def gsave clip 0 0 translate 1 1 54 { 1 sub 47.2 mul /Xcurr exch def 1 1 74 { 1 sub 47.2 mul /Ycurr exch def gsave Xcurr Ycurr translate PT DP gr } for } for gr } def /reencdict 24 dict def /ReEncode {reencdict begin /nco&na exch def /nfnam exch def /basefontname exch def /basefontdict basefontname findfont def /newfont basefontdict maxlength dict def basefontdict {exch dup /FID ne {dup /Encoding eq {exch dup length array copy newfont 3 1 roll put} {exch newfont 3 1 roll put} ifelse} {pop pop} ifelse } forall newfont /FontName nfnam put nco&na 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/circleplus 50 /emptyset 51 /lozenge 52 /bullet 53 /arrowright 54 /arrowup 55 /arrowleft 56 /arrowdown 57 /arrowboth 48 /degree 44 /comma 43 /plus 45 /angle 42 /angleleft 47 /divide 61 /notequal 40 /equivalence 41 /second 97 /approxequal 98 /congruent 99 /perpendicular 100 /partialdiff 101 /florin 102 /intersection 103 /union 104 /propersuperset 105 /reflexsuperset 106 /notsubset 107 /propersubset 108 /reflexsubset 109 /element 110 /notelement 111 /gradient 112 /logicaland 113 /logicalor 114 /arrowdblboth 115 /arrowdblleft 116 /arrowdblup 117 /arrowdblright 118 /arrowdbldown 119 /ampersand 120 /omega1 121 /similar 122 /aleph ] def /Symbol /Special accspe ReEncode gsave .25 .25 scale gsave 0 0 t black [] 0 sd 1 lw 1587 794 454 1247 bl 1587 794 454 1247 C NC 454 1247 m 794 Y s 488 1247 m -34 X s 471 1274 m -17 X s 471 1300 m -17 X s 471 1327 m -17 X s 471 1353 m -17 X s 488 1380 m -34 X s 471 1406 m -17 X s 471 1433 m -17 X s 471 1459 m -17 X s 471 1486 m -17 X s 488 1512 m -34 X s 471 1538 m -17 X s 471 1565 m -17 X s 471 1591 m -17 X s 471 1618 m -17 X s 488 1644 m -34 X s 471 1671 m -17 X s 471 1697 m -17 X s 471 1724 m -17 X s 471 1750 m -17 X s 488 1777 m -34 X s 471 1803 m -17 X s 471 1830 m -17 X s 471 1856 m -17 X s 471 1882 m -17 X s 488 1909 m -34 X s 471 1935 m -17 X s 471 1962 m -17 X s 471 1988 m -17 X s 471 2015 m -17 X s 488 2041 m -34 X s /xs 0 def (0) /Times-Roman 68 stwn gsave 408 1225 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (10) /Times-Roman 68 stwn gsave 408 1357 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (10) show gr /xs 0 def (20) /Times-Roman 68 stwn gsave 408 1489 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (20) show gr /xs 0 def (30) /Times-Roman 68 stwn gsave 408 1622 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (30) show gr /xs 0 def (40) /Times-Roman 68 stwn gsave 408 1754 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (40) show gr /xs 0 def (50) /Times-Roman 68 stwn gsave 408 1886 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (50) show gr /xs 0 def (60) /Times-Roman 68 stwn gsave 408 2019 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (60) show gr 454 1247 m 1587 X s 454 1281 m -34 Y s 533 1264 m -17 Y s 612 1264 m -17 Y s 692 1264 m -17 Y s 771 1264 m -17 Y s 851 1281 m -34 Y s 930 1264 m -17 Y s 1009 1264 m -17 Y s 1089 1264 m -17 Y s 1168 1264 m -17 Y s 1247 1281 m -34 Y s 1327 1264 m -17 Y s 1406 1264 m -17 Y s 1486 1264 m -17 Y s 1565 1264 m -17 Y s 1644 1281 m -34 Y s 1724 1264 m -17 Y s 1803 1264 m -17 Y s 1882 1264 m -17 Y s 1962 1264 m -17 Y s 2041 1281 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 454 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 851 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 1247 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 68 stwn gsave 1644 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (3) show gr /xs 0 def (4) /Times-Roman 68 stwn gsave 2041 1179 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (4) show gr 1587 794 454 1247 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn gsave 2041 1102 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 96 1962 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (g) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (1) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\(r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\)) show gr 1587 794 454 1247 C 3 lw 455 1272 m 3 8 d 1 4 d 2 10 d 1 7 d 2 12 d 1 10 d 2 16 d 2 14 d 2 21 d 1 15 d 2 32 d 1 10 d 3 45 d 3 39 d 1 4 d 2 26 d 1 12 d 2 18 d 1 11 d 2 10 d 1 8 d 1 1 d 1 6 d 2 3 d 2 2 d 1 -1 d 2 -3 d 2 -3 d 3 -10 d 3 -12 d 4 -12 d 3 -10 d 3 -8 d -1 Y 3 -4 d 1 X 2 -1 d 1 X 2 3 d 1 2 d 2 6 d 1 5 d 2 9 d 2 9 d 2 12 d 1 13 d 2 17 d 1 16 d 2 22 d 2 18 d 2 32 d 1 16 d 3 51 d 4 53 d 2 42 d 1 7 d 2 27 d 1 15 d 2 19 d 2 13 d 1 10 d 1 8 d 1 3 d 1 4 d 2 3 d 1 Y 2 X 2 -3 d 1 -5 d 2 -7 d 2 -11 d 1 -8 d 3 -18 d -5 Y 4 -26 d 3 -28 d 3 -29 d 4 -29 d 3 -28 d 3 -27 d 4 -26 d 3 -24 d 3 -24 d 4 -22 d 3 -21 d 3 -19 d 4 -19 d 3 -17 d 3 -17 d 3 -15 d 4 -14 d 3 -14 d 3 -13 d 4 -12 d 3 -11 d 3 -11 d 4 -10 d 3 -9 d 3 -9 d 4 -9 d 3 -8 d 3 -7 d 4 -7 d 3 -7 d 3 -7 d 3 -6 d 4 -5 d 3 -6 d 3 -5 d 4 -5 d 3 -5 d 3 -5 d 4 -4 d 3 -4 d 3 -4 d 4 -4 d 3 -3 d 3 -4 d 4 -3 d 3 -3 d 3 -3 d 3 -3 d 4 -3 d 3 -2 d 3 -3 d 4 -2 d 3 -2 d 3 -3 d 4 -2 d 3 -2 d 3 -2 d 4 -1 d 3 -2 d 3 -2 d 4 -2 d 3 -1 d 3 -2 d 3 -1 d 4 -1 d 3 -2 d 3 -1 d 4 -1 d 3 -1 d 3 -1 d 4 -2 d 3 -1 d 3 -1 d 4 -1 d 3 X 3 -1 d 4 -1 d 3 -1 d 3 -1 d 4 X 3 -1 d 3 -1 d 3 X 4 -1 d 3 X 3 -1 d 4 X 3 -1 d 3 X 4 -1 d 3 X 3 -1 d 10 X 4 -1 d 39 X 4 1 d 6 X 4 1 d 3 1 d 3 1 d 3 2 d 4 2 d 3 2 d 3 4 d 4 4 d 3 6 d 3 7 d 4 10 d 3 11 d 3 13 d 4 13 d 3 13 d 3 11 d 4 9 d 3 7 d 3 5 d 3 3 d 4 2 d 3 1 d 7 X 3 -1 d 7 X 3 -1 d 3 -1 d 4 -1 d 3 -1 d 3 -1 d 4 X 3 -1 d 3 -1 d 3 -1 d 4 -1 d 3 -2 d 3 -1 d 4 -1 d 3 -1 d 3 -2 d 4 -2 d 3 -2 d 3 -2 d 4 -2 d 3 -3 d 3 -2 d 4 -3 d 3 -2 d 3 -2 d 3 -3 d 4 -2 d s 1128 1370 m 3 -3 d 3 -2 d 4 -3 d 3 -3 d 3 -2 d 4 -2 d 3 -3 d 3 -2 d 4 -3 d 3 -2 d 3 -3 d 4 -2 d 3 -2 d 3 -2 d 3 -1 d 4 -2 d 3 -2 d 3 -3 d 4 -2 d 3 -2 d 3 -2 d 4 -1 d 3 -2 d 3 -1 d 4 -1 d 3 -2 d 3 -1 d 4 -2 d 3 -1 d 3 -2 d 4 -1 d 3 -2 d 3 -1 d 3 -1 d 4 -1 d 3 -2 d 3 -1 d 4 -1 d 3 -1 d 3 -1 d 4 -1 d 3 -1 d 3 -1 d 4 -1 d 3 -1 d 3 X 4 -1 d 3 -1 d 3 -1 d 3 -1 d 4 -1 d 3 X 3 -1 d 4 -1 d 3 -1 d 3 X 4 -1 d 3 -1 d 3 X 4 -1 d 3 -1 d 3 X 4 -1 d 3 X 3 -1 d 3 X 4 -1 d 3 X 3 -1 d 4 X 3 -1 d 3 X 4 -1 d 3 X 3 -1 d 7 X 3 -1 d 4 X 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m s 637 1247 m 4 X s 641 1247 m 3 X s 644 1247 m 3 X s 647 1247 m 4 X s 651 1247 m 3 X s 654 1247 m 3 X s 657 1247 m 2 X s 671 1247 m20 671 1247 m20 682 1247 m 2 X s 684 1247 m 3 X s 687 1247 m 3 X s 690 1247 m 4 X s 694 1247 m 3 X s 697 1247 m 3 X s 700 1247 m 4 X s 704 1247 m 1 X s 716 1247 m20 716 1247 m20 727 1247 m 3 X s 730 1247 m 4 X s 734 1247 m 3 X s 737 1247 m 3 X s 740 1247 m 3 X s 743 1247 m 4 X s 747 1247 m 3 X s 761 1247 m20 761 1247 m20 773 1247 m s 773 1247 m 4 X s 777 1247 m 3 X s 780 1247 m 3 X s 783 1247 m 4 X s 787 1247 m 3 X s 790 1247 m 3 X s 793 1247 m 2 X s 807 1247 m20 807 1247 m20 818 1247 m 2 X s 820 1247 m 3 X s 823 1247 m 3 X s 826 1247 m 4 X s 830 1247 m 3 X s 833 1247 m 3 X s 836 1247 m 4 X s 840 1247 m 1 X s 852 1247 m20 852 1247 m20 864 1247 m 2 X s 866 1247 m 3 X s 869 1247 m 4 X s 873 1247 m 3 X s 876 1247 m 3 X s 879 1247 m 4 X s 883 1247 m 3 X s 886 1247 m s 898 1247 m20 898 1247 m20 909 1248 m s 909 1248 m 3 X s 912 1248 m 4 X s 916 1248 m 3 X s 919 1248 m 3 X s 922 1248 m 4 X s 926 1248 m 3 1 d s 929 1249 m 2 X s 942 1253 m20 942 1253 m20 952 1259 m 1 Y s 952 1260 m 4 3 d s 956 1263 m 3 3 d s 959 1266 m 3 4 d s 962 1270 m 3 4 d s 965 1274 m 2 2 d s 973 1285 m20 973 1285 m20 979 1295 m s 979 1295 m 2 5 d s 981 1300 m 1 3 d s 982 1303 m 2 5 d s 984 1308 m 1 4 d s 985 1312 m 2 4 d s 990 1327 m20 990 1327 m20 993 1338 m 2 7 d s 995 1345 m 2 Y s 995 1347 m 4 13 d s 1001 1371 m20 1001 1371 m20 1004 1382 m 1 2 d s 1005 1384 m 2 5 d s 1007 1389 m 2 5 d s 1009 1394 m 1 3 d s 1010 1397 m 2 4 d s 1012 1401 m 1 2 d s 1021 1410 m20 1021 1410 m20 1033 1412 m 2 -1 d s 1035 1411 m 3 X s 1038 1411 m 4 X s 1042 1411 m 3 -1 d s 1045 1410 m 3 -1 d s 1048 1409 m 4 -1 d s 1052 1408 m 3 -1 d s 1066 1405 m20 1066 1405 m20 1077 1401 m 1 -1 d s 1078 1400 m 3 -1 d s 1081 1399 m 4 -1 d s 1085 1398 m 3 -1 d s 1088 1397 m 3 -2 d s 1091 1395 m 4 -2 d s 1095 1393 m 2 -1 d s 1107 1385 m20 1107 1385 m20 1116 1379 m 2 -2 d s 1118 1377 m 3 -2 d s 1121 1375 m 3 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1278 m 3 X s 1346 1278 m 4 -1 d s 1350 1277 m 3 X s 1353 1277 m 2 X s 1366 1275 m20 1366 1275 m20 1378 1273 m 2 X s 1380 1273 m 3 X s 1383 1273 m 3 -1 d s 1386 1272 m 4 X s 1390 1272 m 3 -1 d s 1393 1271 m 3 X s 1396 1271 m 3 -1 d s 1399 1270 m 1 X s 1411 1269 m20 1411 1269 m20 1423 1268 m s 1423 1268 m 3 -1 d s 1426 1267 m 3 X s 1429 1267 m 4 X s 1433 1267 m 3 -1 d s 1436 1266 m 3 X s 1439 1266 m 4 X s 1443 1266 m 2 -1 d s 1456 1264 m20 1456 1264 m20 1468 1264 m 1 -1 d s 1469 1263 m 3 X s 1472 1263 m 4 X s 1476 1263 m 3 X s 1479 1263 m 3 X s 1482 1263 m 4 -1 d s 1486 1262 m 3 X s 1489 1262 m 1 X s 1502 1262 m20 1502 1262 m20 1513 1261 m 2 X s 1515 1261 m 4 X s 1519 1261 m 3 X s 1522 1261 m 3 -1 d s 1525 1260 m 4 X s 1529 1260 m 3 X s 1532 1260 m 3 X s 1535 1260 m 1 X s 1547 1259 m20 1547 1259 m20 1558 1258 m s 1558 1258 m 4 X s 1562 1258 m 3 X s 1565 1258 m 3 X s 1568 1258 m 4 -1 d s 1572 1257 m 3 X s 1575 1257 m 3 X s 1578 1257 m 3 X s 1592 1257 m20 1592 1257 m20 1604 1256 m 1 X s 1605 1256 m 3 X s 1608 1256 m 4 X s 1612 1256 m 3 X s 1615 1256 m 3 X s 1618 1256 m 3 -1 d s 1621 1255 m 4 X s 1625 1255 m 1 X s 1638 1255 m20 1638 1255 m20 1649 1255 m 2 X s 1651 1255 m 4 X s 1655 1255 m 3 X s 1658 1255 m 3 X s 1661 1255 m 4 X s 1665 1255 m 3 X s 1668 1255 m 3 -1 d s 1671 1254 m 1 X s 1683 1254 m20 1683 1254 m20 1694 1254 m 4 -1 d s 1698 1253 m 3 X s 1701 1253 m 3 X s 1704 1253 m 4 X s 1708 1253 m 3 X s 1711 1253 m 3 X s 1714 1253 m 3 X s 1728 1253 m20 1728 1253 m20 1740 1252 m 1 X s 1741 1252 m 3 X s 1744 1252 m 3 X s 1747 1252 m 4 X s 1751 1252 m 3 X s 1754 1252 m 3 X s 1757 1252 m 4 X s 1761 1252 m 1 X s 1774 1252 m20 1774 1252 m20 1785 1252 m 2 X s 1787 1252 m 3 X s 1790 1252 m 4 X s 1794 1252 m 3 X s 1797 1252 m 3 X s 1587 794 454 1247 C 2268 2268 0 0 C 1800 1252 m 4 X s 1804 1252 m 3 X s 1807 1252 m 3 X s 1810 1252 m 4 X s 1814 1252 m 3 -1 d s 1817 1251 m 3 X s 1820 1251 m 3 X s 1834 1251 m20 1834 1251 m20 1846 1251 m 1 X s 1847 1251 m 3 X s 1850 1251 m 3 X s 1853 1251 m 4 X s 1857 1251 m 3 X s 1860 1251 m 3 X s 1863 1251 m 4 X s 1867 1251 m 1 X s 1880 1250 m20 1880 1250 m20 1891 1250 m 2 X s 1893 1250 m 3 X s 1896 1250 m 4 X s 1900 1250 m 3 X s 1903 1250 m 3 X s 1906 1250 m 4 X s 1910 1250 m 3 X s 1913 1250 m 1 X s 1925 1250 m20 1925 1250 m20 1936 1250 m 3 X s 1939 1250 m s 1939 1250 m 3 X s 1942 1250 m 1 X s 1943 1250 m 2 X s 1945 1250 m 1 X s 1946 1250 m 2 X s 1948 1250 m 1 X s 1949 1250 m 4 X s 1953 1250 m 3 X s 1956 1250 m 3 X s 1970 1249 m20 1970 1249 m20 1982 1249 m 1 X s 1983 1249 m 3 X s 1986 1249 m 3 X s 1989 1249 m 3 X s 1992 1249 m 4 X s 1996 1249 m 3 X s 1999 1249 m 3 X s 2002 1249 m 2 X s 2016 1249 m20 2016 1249 m20 2027 1249 m 2 X s 2029 1249 m 3 X s 2032 1249 m 4 X s 2036 1249 m 3 X s 2039 1249 m 2 -1 d s 1587 794 454 1247 C 2268 2268 0 0 C 1 lw 866 2041 m -11 Y s 866 2019 m -12 Y s 866 1996 m -11 Y s 866 1973 m -11 Y s 866 1950 m -11 Y s 866 1928 m -12 Y s 866 1905 m -11 Y s 866 1882 m -11 Y s 866 1860 m -12 Y s 866 1837 m 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1115 1497 m -11 Y s 1115 1474 m -11 Y s 1115 1452 m -12 Y s 1115 1429 m -11 Y s 1115 1406 m -11 Y s 1115 1383 m -11 Y s 1115 1361 m -12 Y s 1115 1338 m -11 Y s 1115 1315 m -11 Y s 1115 1293 m -12 Y s 1115 1270 m -11 Y s 1587 794 454 1247 C 2268 2268 0 0 C 1786 2041 m -11 Y s 1786 2019 m -12 Y s 1786 1996 m -11 Y s 1786 1973 m -11 Y s 1786 1950 m -11 Y s 1786 1928 m -12 Y s 1786 1905 m -11 Y s 1786 1882 m -11 Y s 1786 1860 m -12 Y s 1786 1837 m -11 Y s 1786 1814 m -11 Y s 1786 1792 m -12 Y s 1786 1769 m -11 Y s 1786 1746 m -11 Y s 1786 1724 m -12 Y s 1786 1701 m -11 Y s 1786 1678 m -11 Y s 1786 1656 m -12 Y s 1786 1633 m -11 Y s 1786 1610 m -11 Y s 1786 1588 m -12 Y s 1786 1565 m -11 Y s 1786 1542 m -11 Y s 1786 1520 m -12 Y s 1786 1497 m -11 Y s 1786 1474 m -11 Y s 1786 1452 m -12 Y s 1786 1429 m -11 Y s 1786 1406 m -11 Y s 1786 1383 m -11 Y s 1786 1361 m -12 Y s 1786 1338 m -11 Y s 1786 1315 m -11 Y s 1786 1293 m -12 Y s 1786 1270 m -11 Y s 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 652 1909 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (core) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 930 1909 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (CV) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 1208 1909 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (valence) show gr 1587 794 454 1247 C 2268 2268 0 0 C 1587 794 454 1247 C 2268 2268 0 0 C gsave 1843 1909 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (tail) show gr 1587 794 454 1247 C 2268 2268 0 0 C 454 1247 m 45 X s /w 2 def /w2 {w 2 div} def /w3 {w 3 div} def 522 1247 m20 522 1247 m20 544 1247 m 46 X s 612 1247 m20 612 1247 m20 635 1247 m 45 X s 703 1247 m20 703 1247 m20 726 1247 m 45 X s 794 1247 m20 794 1247 m20 816 1247 m 46 X s 885 1247 m20 885 1247 m20 907 1247 m 46 X s 975 1247 m20 975 1247 m20 998 1247 m 45 X s 1066 1247 m20 1066 1247 m20 1089 1247 m 45 X s 1157 1247 m20 1157 1247 m20 1179 1247 m 46 X s 1247 1247 m20 1247 1247 m20 1270 1247 m 45 X s 1338 1247 m20 1338 1247 m20 1361 1247 m 45 X s 1429 1247 m20 1429 1247 m20 1452 1247 m 45 X s 1520 1247 m20 1520 1247 m20 1542 1247 m 46 X s 1610 1247 m20 1610 1247 m20 1633 1247 m 45 X s 1701 1247 m20 1701 1247 m20 1724 1247 m 45 X s 1792 1247 m20 1792 1247 m20 1814 1247 m 46 X s 1882 1247 m20 1882 1247 m20 1905 1247 m 45 X s 1973 1247 m20 1973 1247 m20 1996 1247 m 45 X s 1587 794 454 1247 C NC 1587 794 454 227 bl 1587 794 454 227 C NC 454 227 m 794 Y s 488 227 m -34 X s 471 259 m -17 X s 471 290 m -17 X s 471 322 m -17 X s 471 354 m -17 X s 488 386 m -34 X s 471 417 m -17 X s 471 449 m -17 X s 471 481 m -17 X s 471 513 m -17 X s 488 544 m -34 X s 471 576 m -17 X s 471 608 m -17 X s 471 640 m -17 X s 471 671 m -17 X s 488 703 m -34 X s 471 735 m -17 X s 471 767 m -17 X s 471 798 m -17 X s 471 830 m -17 X s 488 862 m -34 X s 471 894 m -17 X s 471 925 m -17 X s 471 957 m -17 X s 471 989 m -17 X s 488 1021 m -34 X s /xs 0 def (0) 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1644 261 m -34 Y s 1724 244 m -17 Y s 1803 244 m -17 Y s 1882 244 m -17 Y s 1962 244 m -17 Y s 2041 261 m -34 Y s /xs 0 def (0) /Times-Roman 68 stwn gsave 454 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0) show gr /xs 0 def (0.5) /Times-Roman 68 stwn gsave 851 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (0.5) show gr /xs 0 def (1) /Times-Roman 68 stwn gsave 1247 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1) show gr /xs 0 def (1.5) /Times-Roman 68 stwn gsave 1644 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (1.5) show gr /xs 0 def (2) /Times-Roman 68 stwn gsave 2041 159 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 68 sf 0 0 m (2) show gr 1587 794 454 227 C 2268 2268 0 0 C /xs 0 def (s) /Times-Roman 86 stwn gsave 2041 82 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (s) show gr 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 96 941 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (g) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (3) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (\(s\)) show gr 1587 794 454 227 C 3 lw 457 236 m 7 2 d 6 3 d 7 4 d 6 3 d 7 5 d 7 4 d 6 5 d 7 5 d 7 5 d 6 5 d 7 6 d 6 5 d 7 5 d 7 5 d 6 5 d 7 6 d 7 6 d 6 7 d 7 7 d 6 7 d 7 9 d 7 10 d 6 12 d 6 12 d 1 2 d 5 13 d 2 6 d 4 14 d 2 10 d 4 16 d 3 15 d 3 19 d 3 21 d 4 24 d 3 27 d 3 30 d 4 32 d 4 42 d 2 30 d 7 79 d 6 68 d 1 11 d 4 44 d 2 24 d 3 26 d 2 17 d 2 9 d 2 14 d 2 11 d 2 7 d 3 7 d 3 5 d 1 2 d 3 1 d 4 -1 d 3 -4 d 3 -5 d 7 -14 d 7 -16 d 6 -16 d 7 -16 d 6 -16 d 7 -16 d 7 -14 d 6 -14 d 7 -12 d 7 -11 d 6 -10 d 7 -9 d 6 -8 d 7 -8 d 7 -5 d 6 -5 d 7 -3 d 7 -3 d 6 -3 d 7 -4 d 6 -5 d 7 -6 d 7 -7 d 6 -8 d 7 -9 d 7 -8 d 6 -8 d 7 -7 d 6 -7 d 7 -5 d 7 -6 d 6 -5 d 7 -4 d 7 -4 d 6 -4 d 7 -4 d 6 -3 d 7 -4 d 7 -3 d 6 -3 d 7 -4 d 7 -4 d 6 -4 d 7 -4 d 7 -4 d 6 -5 d 7 -4 d 6 -5 d 7 -5 d 7 -4 d 6 -4 d 7 -4 d 7 -4 d 6 -3 d 7 -2 d 6 -2 d 14 X 6 2 d 7 2 d 7 4 d 6 6 d 7 6 d 6 8 d 7 7 d 7 5 d 4 2 d 2 X 4 -2 d 3 -3 d 3 -5 d 4 -8 d 3 -11 d 3 -12 d 3 -14 d 4 -16 d 6 -34 d 7 -34 d 5 -26 d 2 -5 d 4 -19 d 2 -7 d 5 -16 d 2 -5 d 5 -14 d 2 -3 d 6 -14 d 7 -11 d 6 -9 d 7 -8 d 7 -6 d 6 -6 d 7 -4 d 7 -4 d 6 -3 d 7 -3 d 6 -3 d 7 -2 d 7 -3 d 6 -2 d 7 -2 d 7 -2 d 6 -1 d 7 -2 d 6 -2 d 7 -1 d 7 -1 d 6 -1 d 7 -1 d 7 -1 d 6 X 7 -1 d 26 X 7 1 d 7 1 d 6 1 d 7 1 d 6 2 d 7 2 d 7 3 d 6 2 d 7 1 d 7 1 d 6 X 7 -1 d 6 -1 d 7 -2 d 7 -2 d 6 -3 d 7 -3 d 7 -4 d 6 -4 d 7 -5 d 6 -6 d 7 -6 d 7 -7 d 6 -8 d 7 -7 d 7 -8 d 6 -7 d 7 -7 d 6 -6 d 7 -5 d 7 -5 d 6 -5 d 7 -4 d 7 -4 d 6 -3 d 7 -3 d 6 -2 d 7 -2 d 7 -1 d 6 -1 d 14 X 6 -1 d 93 X s 1802 227 m 1345 X s 3147 227 m 1272 X s 2268 2268 0 0 C 457 236 m 7 2 d s 464 238 m 6 3 d s 470 241 m 7 4 d s 477 245 m s /w 6 def /w2 {w 2 div} def /w3 {w 3 div} def 487 251 m20 487 251 m20 497 257 m 6 5 d s 503 262 m 7 5 d s 510 267 m 5 4 d s 524 278 m20 524 278 m20 533 285 m 3 2 d s 536 287 m 7 5 d s 543 292 m 7 5 d s 550 297 m 1 1 d s 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m20 1731 227 m 5 X s 1736 227 m 6 X s 1742 227 m 7 X s 1749 227 m 5 X s 1765 227 m20 1765 227 m20 1776 227 m 6 X s 1782 227 m 7 X s 1789 227 m 6 X s 1795 227 m 4 X s 1587 794 454 227 C 2268 2268 0 0 C 1802 227 m 7 X s 1809 227 m 6 X s 1815 227 m 7 X s 1822 227 m 3 X s 1836 227 m20 1836 227 m20 1847 227 m 1 X s 1848 227 m 7 X s 1855 227 m 7 X s 1862 227 m 6 X s 1868 227 m 2 X s 1881 227 m20 1881 227 m20 1893 227 m 2 X s 1895 227 m 6 X s 1901 227 m 7 X s 1908 227 m 7 X s 1915 227 m s 1927 227 m20 1927 227 m20 1938 227 m 3 X s 1941 227 m 7 X s 1948 227 m 6 X s 1954 227 m 7 X s 1972 227 m20 1972 227 m20 1983 227 m 5 X s 1988 227 m 6 X s 1994 227 m 7 X s 2001 227 m 5 X s 2017 227 m20 2017 227 m20 2029 227 m 5 X s 2034 227 m 7 X s 2041 227 m s 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C 1 lw 1579 227 m 11 Y s 1579 249 m 12 Y s 1579 272 m 12 Y s 1579 295 m 11 Y s 1579 318 m 11 Y s 1579 340 m 12 Y s 1579 363 m 11 Y s 1579 386 m 11 Y s 1579 408 m 12 Y s 1579 431 m 11 Y s 1579 454 m 11 Y s 1579 476 m 12 Y s 1579 499 m 11 Y s 1579 522 m 11 Y s 1579 544 m 12 Y s 1579 567 m 11 Y s 1579 590 m 11 Y s 1579 612 m 12 Y s 1579 635 m 11 Y s 1579 658 m 11 Y s 1579 680 m 12 Y s 1579 703 m 11 Y s 1579 726 m 11 Y s 1579 748 m 12 Y s 1579 771 m 11 Y s 1579 794 m 11 Y s 1579 816 m 12 Y s 1579 839 m 11 Y s 1579 862 m 11 Y s 1579 885 m 11 Y s 1579 907 m 12 Y s 1579 930 m 11 Y s 1579 953 m 11 Y s 1579 975 m 12 Y s 1579 998 m 11 Y s 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 930 889 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (combined) show gr 1587 794 454 227 C 2268 2268 0 0 C 1587 794 454 227 C 2268 2268 0 0 C gsave 1843 889 t 0 r 0 0 m /Times-Roman findfont 60 sf 0 0 m (tail) show gr 1587 794 454 227 C 2268 2268 0 0 C 454 227 m 45 X s /w 2 def /w2 {w 2 div} def /w3 {w 3 div} def 522 227 m20 522 227 m20 544 227 m 46 X s 612 227 m20 612 227 m20 635 227 m 45 X s 703 227 m20 703 227 m20 726 227 m 45 X s 794 227 m20 794 227 m20 816 227 m 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227 m20 2019 227 m20 2041 227 m cl s 2019 227 m20 2019 227 m20 2041 227 m cl s 2019 227 m20 2019 227 m20 2041 227 m cl s 2019 227 m20 2019 227 m20 2041 227 m cl s 2019 227 m20 2019 227 m20 2041 227 m cl s 2019 227 m20 2019 227 m20 2041 227 m cl s 2019 227 m20 2019 227 m20 2041 227 m cl s 2019 227 m20 2019 227 m20 1587 794 454 227 C gr gr showpage end %%EndDocument endTexFig 2119 1859 a Fu(FIG.)e(5.)41 b Ft(g)2439 1867 y Fq(1)2473 1859 y Fu(\()p Ft(r)2538 1867 y Fr(s)2571 1859 y Fu(\))27 b(and)g Ft(g)2816 1867 y Fq(3)2851 1859 y Fu(\()p Ft(s)p Fu(\))f(distribution)i(functions)f(for)i(bulk)d(Si)2042 1950 y(in)h(the)h(diamond)f(structure)g(at)h(the)f(exp)r(erimen)n(tal)g (lattice)i(param-)2042 2042 y(eter.)2125 2288 y Fw(W)-7 b(e)28 b(tested)h(this)g(exp)r(ectation)f(on)g(a)f(set)i(of)f(test)g (cases.)38 b(The)2042 2384 y(results)28 b(are)f(presen)n(ted)h(in)h(T) -7 b(ables)27 b(I)i(and)f(I)r(I.)40 b(W)-7 b(e)29 b(used)f(exp)r(er-) 2042 2479 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-17 Y s 1803 244 m -17 Y s 1882 244 m -17 Y s 1962 244 m -17 Y s 2041 261 m -34 Y s /xs 0 def (0) /Times-Roman 86 stwn gsave 454 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0) show gr /xs 0 def (0.25) /Times-Roman 86 stwn gsave 851 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.25) show gr /xs 0 def (0.5) /Times-Roman 86 stwn gsave 1247 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.5) show gr /xs 0 def (0.75) /Times-Roman 86 stwn gsave 1644 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.75) show gr /xs 0 def (1) /Times-Roman 86 stwn gsave 2041 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1) show gr 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (s) /Times-Roman 103 stwn gsave 2041 59 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 103 sf 0 0 m (s) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 136 1860 t 0 r 0 0 m /Symbol findfont 103 sf 0 0 m (D) show gr 1587 1814 454 227 C 3 lw 454 2041 m 111 X 16 -1 d 31 X 16 -1 d 16 -1 d 16 -1 d 16 -2 d 16 -1 d 16 -2 d 16 -3 d 15 -3 d 16 -3 d 16 -3 d 16 -4 d 16 -5 d 16 -5 d 16 -5 d 16 -6 d 15 -6 d 16 -7 d 16 -7 d 16 -8 d 16 -8 d 16 -9 d 16 -10 d 16 -10 d 15 -10 d 16 -11 d 16 -12 d 16 -12 d 16 -13 d 16 -13 d 16 -14 d 16 -14 d 15 -15 d 16 -15 d 16 -16 d 16 -16 d 16 -17 d 16 -17 d 16 -18 d 16 -18 d 15 -19 d 16 -19 d 16 -20 d 16 -20 d 16 -21 d 16 -21 d 16 -22 d 16 -21 d 15 -23 d 16 -23 d 16 -23 d 16 -23 d 16 -24 d 16 -25 d 16 -24 d 16 -25 d 15 -26 d 16 -26 d 16 -26 d 16 -26 d 16 -27 d 16 -27 d 16 -28 d 16 -27 d 16 -28 d 15 -29 d 16 -28 d 16 -29 d 16 -29 d 16 -30 d 16 -29 d 16 -30 d 16 -30 d 15 -31 d 16 -30 d 16 -31 d 16 -31 d 16 -31 d 16 -32 d 16 -31 d 16 -32 d 15 -32 d 16 -32 d 16 -33 d 16 -32 d 16 -33 d 16 -32 d 16 -33 d 16 -33 d 15 -33 d s 454 2041 m 174 X 16 -1 d 32 X 16 -1 d 16 X 16 -1 d 15 -1 d 16 -1 d 16 -1 d 16 -1 d 16 -1 d 16 -2 d 16 -1 d 16 -2 d 15 -2 d 16 -2 d 16 -2 d 16 -3 d 16 -3 d 16 -3 d 16 -3 d 16 -3 d 15 -4 d 16 -4 d 16 -4 d 16 -4 d 16 -5 d 16 -4 d 16 -5 d 16 -5 d 15 -6 d 16 -6 d 16 -6 d 16 -6 d 16 -6 d 16 -7 d 16 -7 d 16 -7 d 15 -7 d 16 -8 d 16 -7 d 16 -8 d 16 -9 d 16 -8 d 16 -9 d 16 -9 d 15 -9 d 16 -9 d 16 -10 d 16 -10 d 16 -10 d 16 -10 d 16 -10 d 16 -11 d 15 -11 d 16 -11 d 16 -11 d 16 -11 d 16 -12 d 16 -11 d 16 -12 d 16 -12 d 16 -12 d 15 -13 d 16 -12 d 16 -13 d 16 -13 d 16 -13 d 16 -13 d 16 -13 d 16 -14 d 15 -13 d 16 -14 d 16 -14 d 16 -14 d 16 -14 d 16 -14 d 16 -14 d 16 -15 d 15 -14 d 16 -15 d 16 -15 d 16 -14 d 16 -15 d 16 -15 d 16 -15 d 16 -16 d 15 -15 d s 454 2041 m 254 X 16 -1 d 47 X 16 -1 d 32 X 16 -1 d 16 X 15 -1 d 16 X 16 -1 d 16 -1 d 16 X 16 -1 d 16 -1 d 16 -1 d 15 -1 d 16 -1 d 16 -1 d 16 -2 d 16 -1 d 16 -2 d 16 -1 d 16 -2 d 15 -1 d 16 -2 d 16 -2 d 16 -2 d 16 -2 d 16 -2 d 16 -3 d 16 -2 d 15 -3 d 16 -2 d 16 -3 d 16 -3 d 16 -2 d 16 -3 d 16 -4 d 16 -3 d 15 -3 d 16 -3 d 16 -4 d 16 -3 d 16 -4 d 16 -4 d 16 -4 d 16 -4 d 15 -4 d 16 -4 d 16 -4 d 16 -4 d 16 -5 d 16 -4 d 16 -5 d 16 -4 d 16 -5 d 15 -5 d 16 -5 d 16 -5 d 16 -5 d 16 -5 d 16 -6 d 16 -5 d 16 -5 d 15 -6 d 16 -6 d 16 -5 d 16 -6 d 16 -6 d 16 -6 d 16 -6 d 16 -6 d 15 -6 d 16 -6 d 16 -6 d 16 -6 d 16 -7 d 16 -6 d 16 -6 d 16 -7 d 15 -6 d s 454 2041 m 381 X 16 -1 d 95 X 16 -1 d 47 X 16 -1 d 32 X 16 -1 d 16 X 16 -1 d 31 X 16 -1 d 16 X 16 -1 d 16 -1 d 16 X 16 -1 d 15 X 16 -1 d 16 -1 d 16 -1 d 16 -1 d 16 X 16 -1 d 16 -1 d 15 -1 d 16 -1 d 16 -1 d 16 -1 d 16 -1 d 16 -1 d 16 -2 d 16 -1 d 15 -1 d 16 -1 d 16 -2 d 16 -1 d 16 -2 d 16 -1 d 16 -1 d 16 -2 d 16 -2 d 15 -1 d 16 -2 d 16 -2 d 16 -1 d 16 -2 d 16 -2 d 16 -2 d 16 -2 d 15 -1 d 16 -2 d 16 -2 d 16 -2 d 16 -2 d 16 -3 d 16 -2 d 16 -2 d 15 -2 d 16 -2 d 16 -3 d 16 -2 d 16 -2 d 16 -3 d 16 -2 d 16 -2 d 15 -3 d s 2268 2268 0 0 C 454 2041 m 16 X s 470 2041 m 6 X s 499 2041 m 2 X s 501 2041 m 16 X s 517 2041 m 5 X s 544 2041 m 5 X s 549 2041 m 16 X s 565 2041 m 2 X s 590 2040 m 7 X s 597 2040 m 15 -1 d s 635 2038 m 9 -1 d s 644 2037 m 14 -1 d s 680 2034 m 12 -2 d s 692 2032 m 11 -1 d s 725 2027 m 14 -3 d s 739 2024 m 8 -2 d s 769 2017 m 2 X s 771 2017 m 16 -5 d s 787 2012 m 4 -1 d s 813 2004 m 6 -1 d s 819 2003 m 15 -6 d s 855 1989 m 11 -5 d s 866 1984 m 10 -4 d s 897 1970 m 1 X s 898 1970 m 16 -8 d s 914 1962 m 3 -2 d s 937 1949 m 9 -4 d s 946 1945 m 11 -7 d s 976 1926 m 2 -1 d s 978 1925 m 15 -10 d s 993 1915 m 2 -1 d s 1014 1901 m 11 -8 d s 1025 1893 m 7 -5 d s 1050 1874 m 7 -5 d s 1057 1869 m 11 -9 d s 1086 1846 m 3 -3 d s 1089 1843 m 14 -12 d s 1120 1816 m -1 Y s 1120 1815 m 16 -14 d s 1136 1801 m 1 X s 1153 1785 m 15 -15 d s 1168 1770 m 1 -1 d s 1185 1753 m 15 -15 d s 1200 1738 m 1 -1 d s 1217 1720 m 15 -16 d s 1232 1704 m s 1247 1687 m s 1247 1687 m 15 -17 d s 1277 1653 m 2 -3 d s 1279 1650 m 13 -15 d s 1306 1618 m 5 -6 d s 1311 1612 m 9 -12 d s 1335 1583 m 8 -11 d s 1343 1572 m 6 -7 d s 1362 1547 m 12 -16 d s 1374 1531 m 2 -2 d s 1390 1511 m -1 Y s 1390 1510 m 13 -18 d s 1417 1474 m 5 -8 d s 1422 1466 m 8 -11 d s 1443 1437 m 11 -16 d s 1454 1421 m 2 -3 d s 1469 1400 m 1 -2 d s 1470 1398 m 11 -17 d s 1494 1362 m 7 -11 d s 1501 1351 m 6 -8 d s 1519 1324 m 12 -19 d s 1544 1286 m 5 -8 d s 1549 1278 m 7 -11 d s 1568 1248 m 12 -19 d s 1592 1209 m 5 -8 d s 1597 1201 m 7 -11 d s 1615 1170 m 12 -19 d s 1639 1132 m 5 -10 d s 1644 1122 m 6 -10 d s 1662 1092 m 11 -19 d s 1685 1053 m 7 -13 d s 1692 1040 m 4 -6 d s 1707 1014 m 1 -1 d s 1708 1013 m 10 -19 d s 1729 974 m 11 -18 d s 1740 956 m -1 Y s 1751 935 m 5 -8 d s 1756 927 m 6 -12 d s 1773 895 m 11 -20 d s 1795 855 m 8 -15 d s 1803 840 m 3 -5 d s 1816 815 m 3 -5 d s 1819 810 m 8 -15 d s 1838 775 m 10 -20 d s 1859 735 m 8 -15 d s 1867 720 m 2 -5 d s 1880 695 m 3 -5 d s 1883 690 m 7 -15 d s 1901 654 m 10 -20 d s 1921 614 m 9 -17 d s 1930 597 m 2 -3 d s 1942 574 m 4 -9 d s 1946 565 m 6 -12 d s 1962 533 m 10 -20 d s 1982 493 m 11 -21 d s 2003 452 m 7 -14 d s 2010 438 m 3 -6 d s 2023 411 m 2 -6 d s 1587 1814 454 227 C 2268 2268 0 0 C 454 2041 m 16 X s 470 2041 m 6 X s 499 2041 m 2 X s 501 2041 m 16 X s 517 2041 m 5 X s 544 2041 m 5 X s 549 2041 m 16 X s 565 2041 m 2 X s 590 2041 m 7 X s 597 2041 m 15 X s 635 2040 m 9 X s 644 2040 m 14 X s 680 2039 m 12 X s 692 2039 m 11 -1 d s 726 2037 m 13 -1 d s 739 2036 m 9 X s 771 2034 m s 771 2034 m 16 -1 d s 787 2033 m 7 -1 d s 816 2030 m 3 -1 d s 819 2029 m 16 -2 d s 835 2027 m 4 X s 861 2024 m 5 -1 d s 866 2023 m 16 -2 d s 882 2021 m 2 -1 d s 906 2017 m 8 -2 d s 914 2015 m 14 -3 d s 950 2008 m 12 -3 d s 962 2005 m 11 -2 d s 995 1997 m 14 -4 d s 1009 1993 m 7 -2 d s 1038 1985 m 3 -1 d s 1041 1984 m 16 -4 d s 1057 1980 m 3 -1 d s 1082 1972 m 7 -3 d s 1089 1969 m 14 -5 d s 1124 1957 m 12 -5 d s 1136 1952 m 10 -3 d s 1167 1940 m 1 -1 d s 1168 1939 m 16 -6 d s 1184 1933 m 4 -2 d s 1208 1922 m 8 -3 d s 1216 1919 m 13 -6 d s 1249 1903 m 14 -7 d s 1263 1896 m 7 -3 d s 1290 1883 m 5 -3 d s 1295 1880 m 15 -8 d s 1330 1861 m 13 -7 d s 1343 1854 m 7 -4 d s 1369 1839 m 5 -3 d s 1374 1836 m 15 -9 d s 1408 1816 m 14 -9 d s 1422 1807 m 6 -3 d s 1447 1791 m 7 -4 d s 1454 1787 m 12 -8 d s 1485 1766 m 1 X s 1486 1766 m 15 -11 d s 1501 1755 m 2 -1 d s 1522 1741 m 11 -8 d s 1533 1733 m 7 -5 d s 1559 1714 m 6 -4 d s 1565 1710 m 12 -9 d s 1595 1687 m 2 -1 d s 1597 1686 m 16 -12 d s 1613 1674 m s 1631 1660 m 13 -11 d s 1644 1649 m 5 -3 d s 1667 1632 m 9 -8 d s 1676 1624 m 8 -7 d s 1702 1603 m 6 -5 d s 1708 1598 m 11 -9 d s 1737 1574 m 3 -2 d s 1740 1572 m 14 -13 d s 1771 1545 m -1 Y s 1771 1544 m 16 -13 d s 1787 1531 m 1 -1 d s 1805 1515 m 14 -12 d s 1819 1503 m 3 -3 d s 1839 1484 m 12 -10 d s 1851 1474 m 5 -5 d s 1873 1454 m 10 -9 d s 1883 1445 m 7 -6 d s 1906 1423 m 8 -7 d s 1914 1416 m 9 -8 d s 1939 1392 m 7 -6 d s 1946 1386 m 10 -10 d s 1972 1361 m 6 -6 d s 1978 1355 m 10 -10 d s 2005 1329 m 5 -5 d s 2010 1324 m 11 -11 d s 1587 1814 454 227 C 2268 2268 0 0 C 454 2041 m 16 X s 470 2041 m 6 X s 499 2041 m 2 X s 501 2041 m 16 X s 517 2041 m 5 X s 544 2041 m 5 X s 549 2041 m 16 X s 565 2041 m 2 X s 590 2041 m 7 X s 597 2041 m 15 X s 635 2041 m 9 X s 644 2041 m 14 X s 680 2041 m 12 X s 692 2041 m 11 -1 d s 726 2040 m 13 X s 739 2040 m 10 X s 771 2039 m 16 X s 787 2039 m 7 X s 817 2038 m 2 X s 819 2038 m 16 -1 d s 835 2037 m 4 X s 862 2036 m 4 X s 866 2036 m 16 -1 d s 882 2035 m 3 X s 907 2034 m 7 X s 914 2034 m 16 -1 d s 952 2031 m 10 -1 d s 962 2030 m 13 -1 d s 998 2027 m 11 -1 d s 1009 2026 m 11 -1 d s 1043 2023 m 14 -1 d s 1057 2022 m 8 -1 d s 1088 2018 m 1 X s 1089 2018 m 16 -2 d s 1105 2016 m 5 -1 d s 1133 2012 m 3 X s 1136 2012 m 16 -3 d s 1152 2009 m 3 X s 1178 2006 m 6 -1 d s 1184 2005 m 16 -3 d s 1200 2002 m s 1222 1998 m 10 -2 d s 1232 1996 m 13 -2 d s 1267 1990 m 12 -3 d s 1279 1987 m 10 -2 d s 1312 1981 m 15 -4 d s 1327 1977 m 7 -1 d s 1356 1971 m 3 -1 d s 1359 1970 m 15 -4 d s 1374 1966 m 4 X s 1400 1960 m 6 -1 d s 1406 1959 m 16 -4 d s 1444 1949 m 10 -3 d s 1454 1946 m 12 -3 d s 1487 1937 m 14 -4 d s 1501 1933 m 8 -3 d s 1531 1924 m 2 -1 d s 1533 1923 m 16 -5 d s 1549 1918 m 4 -1 d s 1574 1910 m 7 -2 d s 1581 1908 m 15 -5 d s 1617 1896 m 12 -4 d s 1629 1892 m 10 -3 d s 1660 1881 m 16 -5 d s 1676 1876 m 6 -2 d s 1703 1866 m 5 -2 d s 1708 1864 m 16 -6 d s 1724 1858 m s 1745 1850 m 11 -4 d s 1756 1846 m 11 -4 d s 1788 1834 m 15 -6 d s 1803 1828 m 6 -3 d s 1830 1817 m 5 -2 d s 1835 1815 m 16 -7 d s 1851 1808 m s 1872 1800 m 11 -5 d s 1883 1795 m 10 -4 d s 1914 1782 m s 1914 1782 m 16 -7 d s 1930 1775 m 4 -2 d s 1955 1764 m 7 -3 d s 1962 1761 m 14 -6 d s 1996 1745 m 14 -6 d s 2010 1739 m 7 -3 d s 1587 1814 454 227 C 2268 2268 0 0 C 454 2041 m 16 X s 470 2041 m 6 X s 499 2041 m 2 X s 501 2041 m 16 X s 517 2041 m 5 X s 544 2041 m 5 X s 549 2041 m 16 X s 565 2041 m 2 X s 590 2041 m 7 X s 597 2041 m 15 X s 635 2041 m 9 X s 644 2041 m 14 X s 680 2041 m 12 X s 692 2041 m 11 X s 726 2041 m 13 X s 739 2041 m 10 X s 771 2041 m 16 X s 787 2041 m 7 X s 817 2040 m 2 X s 819 2040 m 16 X s 835 2040 m 4 X s 862 2040 m 4 X s 866 2040 m 16 X s 882 2040 m 3 X s 907 2039 m 7 X s 914 2039 m 16 X s 953 2038 m 9 X s 962 2038 m 13 X s 998 2037 m 11 X s 1009 2037 m 12 X s 1043 2036 m 14 X s 1057 2036 m 9 -1 d s 1089 2035 m s 1089 2035 m 16 -1 d s 1105 2034 m 6 X s 1134 2033 m 2 X s 1136 2033 m 16 -1 d s 1152 2032 m 5 X s 1179 2030 m 5 X s 1184 2030 m 16 -1 d s 1200 2029 m 2 X s 1225 2028 m 7 X s 1232 2028 m 15 -1 d s 1270 2025 m 9 -1 d s 1279 2024 m 13 X s 1315 2022 m 12 -1 d s 1327 2021 m 11 -1 d s 1360 2018 m 14 -1 d s 1374 2017 m 9 -1 d s 1405 2014 m 1 X s 1406 2014 m 16 -1 d s 1422 2013 m 6 -1 d s 1451 2010 m 3 X s 1454 2010 m 16 -2 d s 1470 2008 m 3 X s 1496 2005 m 5 -1 d s 1501 2004 m 16 -1 d s 1517 2003 m 1 X s 1541 2000 m 8 -1 d s 1549 1999 m 14 -2 d s 1586 1994 m 11 -1 d s 1597 1993 m 11 -2 d s 1631 1988 m 13 -1 d s 1644 1987 m 9 -2 d s 1676 1982 m s 1676 1982 m 16 -2 d s 1692 1980 m 6 -1 d s 1721 1975 m 3 X s 1724 1975 m 16 -3 d s 1740 1972 m 3 X s 1765 1968 m 6 -1 d s 1771 1967 m 16 -2 d s 1787 1965 m 1 X s 1810 1961 m 9 -2 d s 1819 1959 m 13 -2 d s 1855 1953 m 12 -2 d s 1867 1951 m 10 -2 d s 1899 1945 m 15 -3 d s 1914 1942 m 8 -1 d s 1944 1937 m 2 -1 d s 1946 1936 m 16 -3 d s 1962 1933 m 4 X s 1989 1928 m 5 -1 d s 1994 1927 m 16 -3 d s 2010 1924 m 1 X s 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (=0.5) /Times-Roman 86 stwn gsave 1994 1243 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=0.5) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (=1.0) /Times-Roman 86 stwn gsave 1994 1678 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=1.0) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (=2.0) /Times-Roman 86 stwn gsave 1994 1882 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=2.0) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (=0.25) /Times-Roman 86 stwn gsave 1978 336 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=0.25) show gr 1587 1814 454 227 C [] 0 sd 692 1243 m 159 X s 2268 2268 0 0 C [] 0 sd 692 1149 m 22 X s 737 1149 m 23 X s 782 1149 m 23 X s 828 1149 m 22 X s 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 898 1243 t 0 r 0 0 m /Symbol findfont 86 sf 0 0 m (z) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=0) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 898 1149 t 0 r 0 0 m /Symbol findfont 86 sf 0 0 m (z) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=1) show gr 1587 1814 454 227 C gr gr showpage end %%EndDocument endTexFig 2119 1859 a Fu(FIG.)g(6.)39 b(GGA)21 b(gradien)n(t)g(correction)h (\001)f(of)h(Eq.)f(\(8\))g(\(in)g(hartrees\))2042 1950 y(to)31 b(the)g(exc)n(hange-correlation)h(energy)f(p)r(er)g(electron)h (for)g(di\013eren)n(t)2042 2042 y(v)l(alues)f(of)i Ft(r)2405 2050 y Fr(s)2469 2042 y Fu(for)f(the)f(unp)r(olarized)h(\()p Ft(\020)k Fu(=)31 b(0\))h(and)f(fully)h(p)r(olarized)2042 2133 y(\()p Ft(\020)26 b Fu(=)21 b(1\))26 b(cases,)h(using)f(the)f(PBE) i(functional.)2751 2401 y Fv(3.)35 b(Bond)28 b(str)l(etching)2125 2614 y Fw(Next)22 b(w)n(e)f(apply)h(Eq.)f(\(9\))g(to)h(the)g(question)f (of)h(whether)g(GGA)2042 2710 y(stretc)n(hes)34 b(b)r(onds)h(relativ)n (e)e(to)i(LSD.)g(By)g(the)g(argumen)n(t)f(pre-)2042 2805 y(ceding)29 b(Eq.)f(\(8\),)i Fm(N)9 b(d)p Fw(\001)p Fm(=da)25 b Fk(\031)g Fm(dE)3154 2775 y Fn(GGA)3311 2805 y Fm(=da)j Fw(at)h(the)h(LSD)g(equi-)2042 2901 y(librium)41 b(b)r(ond)g(length.)76 b(If)42 b Fm(d)p Fw(\001)j Fm(<)g Fw(0)40 b(when)h Fm(a)g Fw(is)f(increased)2042 2996 y(in\014nitesimally)-7 b(,)26 b(the)g(b)r(ond)g(expands)f(due)g(to)h(gradien)n(t)e(correc-)2042 3092 y(tions,)34 b(but)f(it)h(con)n(tracts)d(if)j Fm(d)p Fw(\001)e Fm(>)f Fw(0.)53 b(The)33 b(a)n(v)n(erage)d(reduced)2042 3187 y(densit)n(y)37 b(gradien)n(t)f Fk(h)p Fm(s)p Fk(i)h Fw(increases)f(with)i(b)r(ond)f(length)g(\(T)-7 b(able)2042 3283 y(I)r(I\).)72 b(But)39 b Fk(h)p Fm(r)2476 3295 y Fh(s)2513 3283 y Fk(i)g Fw(also)f(increases,)j(since)e(the)g(a)n(v)n (erage)d(densit)n(y)2042 3378 y(drops)23 b(as)h(the)h(atoms)f (separate.)35 b(The)24 b(inequalit)n(y)h(\(9\))f(is)h(tested)2042 3474 y(for)h(the)i(b)r(ond)f(lengths)g(in)g(T)-7 b(able)27 b(I)r(I)r(I.)37 b(Usually)27 b(the)h(inequalit)n(y)2042 3569 y(of)22 b(Eq.)h(\(9\))g(is)f(ful\014lled,)j(whic)n(h)e(implies)g (that)g(b)r(ond)g(lengths)f(are)2042 3664 y(longer)k(in)i(GGA)g(than)g (in)g(LSD.)2125 3760 y(Ho)n(w)n(ev)n(er,)36 b(in)g(a)g(few)g(cases)f (the)h(increase)f(of)g(inhomogene-)2042 3855 y(it)n(y)i(is)g (insu\016cien)n(t)g(to)g(o)n(v)n(ercome)e(the)i(decrease)f(in)h(the)g (den-)2042 3951 y(sit)n(y)-7 b(.)98 b(This)49 b(holds)e(true)i(for)e (the)i(h)n(ydrogen)e(molecule)h(H)4047 3963 y Fn(2)2042 4046 y Fw(\(a)2116 4016 y Fn(LSD)2116 4067 y(0)2247 4046 y Fw(=0.765)2544 4031 y(\027)2544 4046 y(A,)43 b(a)2714 4016 y Fn(GGA)2714 4067 y(0)2869 4046 y Fw(=0.748)3165 4031 y(\027)3165 4046 y(A,)g(a)3335 4006 y Fn(exp)r(er)p Fh(:)3335 4069 y Fn(0)3517 4046 y Fw(=0.741)3813 4031 y(\027)3813 4046 y(A\))g(and)2042 4142 y(the)31 b(H)2250 4154 y Fn(3)2319 4142 y Fw(molecule)f(at)h(the)h(transition)e(state)h (\(d)3582 4112 y Fn(LSD)3582 4165 y Fh(T)9 b(S)3714 4142 y Fw(=0.950)3999 4127 y(\027)3999 4142 y(A,)2042 4237 y(d)2088 4207 y Fn(GGA)2088 4260 y Fh(T)g(S)2244 4237 y Fw(=0.941)2529 4222 y(\027)2529 4237 y(A\).)32 b(F)-7 b(or)30 b(b)r(oth)i(these)f(cases,)g(the)h(inequalit)n(y)e(of)2042 4333 y(Eq.)24 b(\(9\))i(is)f(violated,)g(and)g(indeed)g(GGA)h(shrinks)e (these)h(b)r(onds)2042 4428 y(relativ)n(e)33 b(to)h(LSD.)g(The)h (absence)e(of)h(an)g(ionic)g(core)f(in)h(the)h(H)2042 4524 y(atom)e(leads)h(to)f(an)h(un)n(usual)f(degree)g(of)h(densit)n(y)g (con)n(traction)2042 4619 y(under)23 b(b)r(ond-length)h(shrink)-5 b(age.)34 b(As)24 b(found)f(in)h(Ref.)g(26,)g(gradi-)2042 4715 y(en)n(t)i(corrections)d(often)j(shrink)f(b)r(onds)h(to)f(H)h (atoms.)36 b(But)26 b(they)2042 4810 y(correctly)d(stretc)n(h)h(the)h (w)n(eak)e(h)n(ydrogen)g(b)r(ond)i(in)f(ice)3753 4780 y Fn(33)3823 4810 y Fw(,)i(where)2042 4906 y(little)32 b(relativ)n(e)e(c)n(hange)g(in)h Fk(h)p Fm(r)2990 4918 y Fh(s)3026 4906 y Fk(i)h Fw(is)f(exp)r(ected.)48 b(The)31 b(GGA)h(im-)2042 5001 y(pro)n(v)n(emen)n(t)i(o)n(v)n(er)g(LSD)i(for)g (h)n(ydrogen-b)r(onded)e(systems)h(w)n(as)2042 5097 y(\014rst)27 b(sho)n(wn)g(in)h(Ref.)g(34.)2125 5192 y(An)k(alternativ)n(e)e (explanation)g(of)h(these)h(e\013ects)f(is)g(giv)n(en)g(in)2042 5288 y(Ref.)21 b(35)f(in)h(terms)g(of)g(the)g(selfconsisten)n(t)g (e\013ect)g(of)g(the)g(gradien)n(t)1946 5608 y(6)p eop %%Page: 7 7 7 6 bop -150 -166 a 15476842 15476842 0 0 37298257 37298257 startTexFig -150 -166 a %%BeginDocument: p.eps 80 dict begin /s {stroke} def /l {lineto} def /m {moveto} def /t {translate} def /sw {stringwidth} def /r {rotate} def /rl {roll} def /R {repeat} def /d {rlineto} def /rm {rmoveto} def /gr {grestore} def /f {eofill} def /c {setrgbcolor} def /lw {setlinewidth} def /sd {setdash} def /cl {closepath} def /sf {scalefont setfont} def /black {0 setgray} def /box {m dup 0 exch d exch 0 d 0 exch neg d cl} def /NC{systemdict begin initclip end}def/C{NC box clip newpath}def /bl {box s} def /bf {box f} def /Y { 0 exch d} def /X { 0 d} def /mp {newpath /y exch def /x exch def} def /side {[w .77 mul w .23 mul] .385 w mul sd w 0 l currentpoint t -144 r} def /mr {mp x y w2 0 360 arc} def /m24 {mr s} def /m20 {mr f} def /mb {mp x y w2 add m w2 neg 0 d 0 w neg d w 0 d 0 w d cl} def /mt {mp x y w2 add m w2 neg w neg d w 0 d cl} def /m21 {mb f} def /m25 {mb s} def /m22 {mt f} def /m26 {mt s} def /m23 {mp x y w2 sub m w2 w d w neg 0 d cl f} def /m27 {mp x y w2 add m w3 neg w2 neg d w3 w2 neg d w3 w2 d cl s} def /m28 {mp x w2 sub y w2 sub w3 add m w3 0 d 0 w3 neg d w3 0 d 0 w3 d w3 0 d 0 w3 d w3 neg 0 d 0 w3 d w3 neg 0 d 0 w3 neg d w3 neg 0 d cl s } def /m29 {mp gsave x w2 sub y w2 add w3 sub m currentpoint t 4 {side} repeat cl fill gr} def /m30 {mp gsave x w2 sub y w2 add w3 sub m currentpoint t 5 {side} repeat s gr} def /m31 {mp x y w2 sub m 0 w d x w2 sub y m w 0 d x w2 sub y w2 add m w w neg d x w2 sub y w2 sub m w w d s} def /m2 {mp x y w2 sub m 0 w d x w2 sub y m w 0 d s} def /m5 {mp x w2 sub y w2 sub m w w d x w2 sub y w2 add m w w neg d s} def /DP {/PT exch def gsave 47.2 47.2 scale PT 1 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 > } image } if PT 2 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE > } image } if PT 3 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE > } image } if PT 4 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DF DF BF BF 7F 7F FE FE FD FD FB FB F7 F7 EF EF DF DF BF BF 7F 7F FE FE FD FD FB FB F7 F7 EF EF > } image } if PT 5 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 7F 7F BF B F DF DF EF EF F7 F7 FB FB FD FD FE FE 7F 7F BF BF DF DF EF EF F7 F7 FB FB FD FD FE FE > } image } if PT 6 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB > } image } if PT 7 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 > } image } if PT 8 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 > } image } if PT 9 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 > } image } if PT 10 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 > } image } if PT 11 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F7 F7 B6 B6 D5 D5 E3 E3 D5 D5 B6 B6 F7 F7 FF FF 7F 7F 6B 6B 5D 5D 3E 3E 5D 5D 6B 6B 7F 7F FF FF > } image } if PT 12 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < E3 E3 DD DD BE BE BE BE BE BE DD DD E3 E3 FF FF 3E 3E DD DD EB EB EB EB EB EB DD DD 3E 3E FF FF > } image } if PT 13 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D > } image } if PT 14 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 00 00 EE EF EE EF EE EF 0E E0 EE EE EE EE EE EE 00 EE FE EE FE EE FE EE 00 00 FE EF FE EF FE EF > } image } if PT 15 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF > } image } if PT 16 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF > } image } if PT 17 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF > } image } if PT 18 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF > } image } if PT 19 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 1F FC 67 F3 7B EF BD DE BD DE DE BD E6 B3 F8 0F E6 B3 DE BD BD DE BD DE 7B EF 67 F3 1F FC 7F FF > } image } if PT 20 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB > } image } if PT 21 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE > } image } if PT 22 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F > } image } if PT 23 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 > } image } if PT 24 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC EA A8 D5 54 EA A8 D5 54 E8 28 D4 54 E8 E8 D4 D4 E8 EA 54 D5 A8 EA 54 D5 00 C0 00 80 > } image } if PT 25 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC FF F8 FF F0 F0 00 F0 00 F0 20 F0 60 F0 E0 F1 E0 F3 E0 F0 00 E0 00 C0 00 80 00 00 00 > } image } if gr } def /FA { /PT exch def gsave clip 0 0 translate 1 1 54 { 1 sub 47.2 mul /Xcurr exch def 1 1 74 { 1 sub 47.2 mul /Ycurr exch def gsave Xcurr Ycurr translate PT DP gr } for } for gr } def /reencdict 24 dict def /ReEncode {reencdict begin /nco&na exch def /nfnam exch def /basefontname exch def /basefontdict basefontname findfont def /newfont basefontdict maxlength dict def basefontdict {exch dup /FID ne {dup /Encoding eq {exch dup length array copy newfont 3 1 roll put} {exch newfont 3 1 roll put} ifelse} {pop pop} ifelse } forall newfont /FontName nfnam put nco&na aload pop nco&na length 2 idiv {newfont /Encoding get 3 1 roll put} repeat nfnam newfont definefont pop end } def /accvec [ 176 /agrave 181 /Agrave 190 /acircumflex 192 /Acircumflex 201 /adieresis 204 /Adieresis 209 /ccedilla 210 /Ccedilla 211 /eacute 212 /Eacute 213 /egrave 214 /Egrave 215 /ecircumflex 216 /Ecircumflex 217 /edieresis 218 /Edieresis 219 /icircumflex 220 /Icircumflex 221 /idieresis 222 /Idieresis 223 /ntilde 224 /Ntilde 226 /ocircumflex 228 /Ocircumflex 229 /odieresis 230 /Odieresis 231 /ucircumflex 236 /Ucircumflex 237 /udieresis 238 /Udieresis 239 /aring 242 /Aring 243 /ydieresis 244 /Ydieresis 246 /aacute 247 /Aacute 252 /ugrave 253 /Ugrave] def /Times-Roman /Times-Roman accvec ReEncode /Times-Italic /Times-Italic accvec ReEncode /Times-Bold /Times-Bold accvec ReEncode /Times-BoldItalic /Times-BoldItalic accvec ReEncode /Helvetica /Helvetica accvec ReEncode /Helvetica-Oblique /Helvetica-Oblique accvec ReEncode /Helvetica-Bold /Helvetica-Bold accvec ReEncode /Helvetica-BoldOblique /Helvetica-BoldOblique accvec ReEncode /Courier /Courier accvec ReEncode /Courier-Oblique /Courier-Oblique accvec ReEncode /Courier-Bold /Courier-Bold accvec ReEncode /Courier-BoldOblique /Courier-BoldOblique accvec ReEncode /oshow {gsave [] 0 sd true charpath stroke gr} def /stwn { /fs exch def /fn exch def /text exch def fn findfont fs sf text sw pop xs add /xs exch def} def /stwb { /fs exch def /fn exch def /nbas exch def /textf exch def textf length /tlen exch def nbas tlen gt {/nbas tlen def} if fn findfont fs sf textf dup length nbas sub nbas getinterval sw pop neg xs add /xs exch def} def /accspe [ 65 /plusminus 66 /bar 67 /existential 68 /universal 69 /exclam 70 /numbersign 71 /greater 72 /question 73 /integral 74 /colon 75 /semicolon 76 /less 77 /bracketleft 78 /bracketright 79 /greaterequal 80 /braceleft 81 /braceright 82 /radical 83 /spade 84 /heart 85 /diamond 86 /club 87 /lessequal 88 /multiply 89 /percent 90 /infinity 48 /circlemultiply 49 /circleplus 50 /emptyset 51 /lozenge 52 /bullet 53 /arrowright 54 /arrowup 55 /arrowleft 56 /arrowdown 57 /arrowboth 48 /degree 44 /comma 43 /plus 45 /angle 42 /angleleft 47 /divide 61 /notequal 40 /equivalence 41 /second 97 /approxequal 98 /congruent 99 /perpendicular 100 /partialdiff 101 /florin 102 /intersection 103 /union 104 /propersuperset 105 /reflexsuperset 106 /notsubset 107 /propersubset 108 /reflexsubset 109 /element 110 /notelement 111 /gradient 112 /logicaland 113 /logicalor 114 /arrowdblboth 115 /arrowdblleft 116 /arrowdblup 117 /arrowdblright 118 /arrowdbldown 119 /ampersand 120 /omega1 121 /similar 122 /aleph ] def /Symbol /Special accspe ReEncode gsave .25 .25 scale gsave 0 0 t black [] 0 sd 1 lw 1587 1814 454 227 bl 1587 1814 454 227 C NC 454 227 m 1814 Y s 488 227 m -34 X s 471 378 m -17 X s 471 529 m -17 X s 471 680 m -17 X s 488 832 m -34 X s 471 983 m -17 X s 471 1134 m -17 X s 471 1285 m -17 X s 488 1436 m -34 X s 471 1588 m -17 X s 471 1739 m -17 X s 471 1890 m -17 X s 488 2041 m -34 X s /xs 0 def (1) /Times-Roman 86 stwn gsave 408 198 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1) show gr /xs 0 def (1.1) /Times-Roman 86 stwn gsave 408 803 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1.1) show gr /xs 0 def (1.2) /Times-Roman 86 stwn gsave 408 1408 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1.2) show gr /xs 0 def (1.3) /Times-Roman 86 stwn gsave 408 2013 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1.3) show gr 454 227 m 1587 X s 454 261 m -34 Y s 533 244 m -17 Y s 612 244 m -17 Y s 692 244 m -17 Y s 771 244 m -17 Y s 851 261 m -34 Y s 930 244 m -17 Y s 1009 244 m -17 Y s 1089 244 m -17 Y s 1168 244 m -17 Y s 1247 261 m -34 Y s 1327 244 m -17 Y s 1406 244 m -17 Y s 1486 244 m -17 Y s 1565 244 m -17 Y s 1644 261 m -34 Y s 1724 244 m -17 Y s 1803 244 m -17 Y s 1882 244 m -17 Y s 1962 244 m -17 Y s 2041 261 m -34 Y s /xs 0 def (0) /Times-Roman 86 stwn gsave 454 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0) show gr /xs 0 def (0.25) /Times-Roman 86 stwn gsave 851 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.25) show gr /xs 0 def (0.5) /Times-Roman 86 stwn gsave 1247 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.5) show gr /xs 0 def (0.75) /Times-Roman 86 stwn gsave 1644 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.75) show gr /xs 0 def (1) /Times-Roman 86 stwn gsave 2041 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1) show gr 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (s) /Times-Roman 103 stwn gsave 2041 59 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 103 sf 0 0 m (s) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 215 1792 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (P) show gr 1587 1814 454 227 C 3 lw 470 361 m 31 X 16 1 d 16 1 d 16 2 d 16 2 d 16 2 d 16 2 d 15 2 d 16 3 d 16 3 d 16 4 d 16 3 d 16 4 d 16 4 d 16 5 d 15 5 d 16 5 d 16 5 d 16 5 d 16 6 d 16 6 d 16 7 d 16 6 d 15 7 d 16 7 d 16 8 d 16 8 d 16 8 d 16 8 d 16 8 d 16 9 d 15 9 d 16 10 d 16 10 d 16 10 d 16 10 d 16 10 d 16 11 d 16 11 d 15 12 d 16 11 d 16 12 d 16 13 d 16 12 d 16 13 d 16 13 d 16 14 d 15 14 d 16 14 d 16 14 d 16 15 d 16 15 d 16 15 d 16 15 d 16 16 d 15 16 d 16 17 d 16 17 d 16 17 d 16 17 d 16 18 d 16 18 d 16 18 d 15 19 d 16 19 d 16 19 d 16 20 d 16 20 d 16 20 d 16 21 d 16 21 d 16 21 d 15 22 d 16 21 d 16 23 d 16 22 d 16 23 d 16 23 d 16 24 d 16 24 d 15 24 d 16 25 d 16 25 d 16 25 d 16 25 d 16 26 d 16 27 d 16 26 d 15 27 d 16 27 d 16 28 d 16 28 d 16 28 d 16 29 d 16 29 d 16 29 d 15 30 d s 470 504 m 15 2 d 16 1 d 16 X 16 1 d 16 2 d 16 1 d 16 2 d 16 1 d 15 3 d 16 2 d 16 2 d 16 3 d 16 3 d 16 3 d 16 4 d 16 3 d 15 4 d 16 4 d 16 5 d 16 4 d 16 5 d 16 5 d 16 5 d 16 6 d 15 5 d 16 6 d 16 6 d 16 7 d 16 7 d 16 6 d 16 7 d 16 8 d 15 7 d 16 8 d 16 8 d 16 9 d 16 8 d 16 9 d 16 9 d 16 10 d 15 9 d 16 10 d 16 10 d 16 10 d 16 11 d 16 11 d 16 11 d 16 12 d 15 11 d 16 12 d 16 12 d 16 13 d 16 13 d 16 13 d 16 13 d 16 14 d 15 14 d 16 14 d 16 14 d 16 15 d 16 15 d 16 16 d 16 15 d 16 16 d 15 17 d 16 16 d 16 17 d 16 17 d 16 18 d 16 18 d 16 18 d 16 18 d 16 19 d 15 19 d 16 20 d 16 20 d 16 20 d 16 20 d 16 21 d 16 21 d 16 21 d 15 22 d 16 22 d 16 23 d 16 22 d 16 23 d 16 24 d 16 24 d 16 24 d 15 24 d 16 25 d 16 25 d 16 26 d 16 26 d 16 26 d 16 27 d 16 27 d 15 27 d s 470 840 m 15 2 d 16 -1 d 16 1 d 16 X 16 1 d 16 1 d 16 1 d 16 1 d 15 1 d 16 1 d 16 2 d 16 1 d 16 2 d 16 2 d 16 1 d 16 2 d 15 3 d 16 2 d 16 2 d 16 3 d 16 3 d 16 3 d 16 3 d 16 3 d 15 3 d 16 3 d 16 4 d 16 4 d 16 4 d 16 4 d 16 4 d 16 5 d 15 4 d 16 5 d 16 5 d 16 5 d 16 5 d 16 6 d 16 5 d 16 6 d 15 6 d 16 7 d 16 6 d 16 7 d 16 7 d 16 7 d 16 7 d 16 8 d 15 7 d 16 8 d 16 9 d 16 8 d 16 9 d 16 9 d 16 9 d 16 9 d 15 10 d 16 10 d 16 10 d 16 11 d 16 11 d 16 11 d 16 11 d 16 12 d 15 11 d 16 13 d 16 12 d 16 13 d 16 13 d 16 13 d 16 14 d 16 14 d 16 14 d 15 15 d 16 15 d 16 15 d 16 16 d 16 15 d 16 17 d 16 16 d 16 17 d 15 17 d 16 18 d 16 18 d 16 18 d 16 19 d 16 19 d 16 19 d 16 20 d 15 20 d 16 20 d 16 21 d 16 21 d 16 21 d 16 22 d 16 22 d 16 23 d 15 23 d s 477 1768 m 24 X 16 -1 d 16 -1 d 16 -1 d 16 -1 d 16 -2 d 16 -1 d 15 -2 d 16 -2 d 16 -2 d 16 -2 d 16 -2 d 16 -3 d 16 -2 d 16 -3 d 15 -3 d 16 -3 d 16 -3 d 16 -3 d 16 -3 d 16 -4 d 16 -3 d 16 -3 d 15 -4 d 16 -4 d 16 -3 d 16 -4 d 16 -4 d 16 -3 d 16 -4 d 16 -4 d 15 -4 d 16 -3 d 16 -4 d 16 -4 d 16 -3 d 16 -4 d 16 -3 d 16 -4 d 15 -3 d 16 -3 d 16 -3 d 16 -3 d 16 -3 d 16 -3 d 16 -2 d 16 -2 d 15 -3 d 16 -2 d 16 -1 d 16 -2 d 16 -2 d 16 -1 d 16 -1 d 16 -1 d 31 X 16 -1 d 16 1 d 16 X 16 1 d 16 1 d 16 1 d 15 2 d 16 2 d 16 2 d 16 3 d 16 3 d 16 3 d 16 3 d 16 4 d 16 5 d 15 4 d 16 5 d 16 6 d 16 5 d 16 6 d 16 7 d 16 7 d 16 7 d 15 7 d 16 8 d 16 9 d 16 9 d 16 9 d 16 10 d 16 10 d 16 10 d 15 11 d 16 11 d 16 12 d 16 12 d 16 13 d 16 13 d 16 13 d 16 14 d 15 14 d s 2268 2268 0 0 C 470 279 m 15 X s 485 279 m 7 X s 515 279 m 2 X s 517 279 m 16 1 d s 533 280 m 5 X s 560 281 m 5 X s 565 281 m 16 1 d s 581 282 m 2 X s 605 284 m 7 X s 612 284 m 16 2 d s 651 288 m 9 1 d s 660 289 m 13 1 d s 696 293 m 12 1 d s 708 294 m 10 2 d s 741 299 m 14 2 d s 755 301 m 8 1 d s 786 306 m 1 X s 787 306 m 16 3 d s 803 309 m 5 1 d s 830 314 m 5 1 d s 835 315 m 16 3 d s 851 318 m 1 1 d s 875 323 m 7 2 d s 882 325 m 15 3 d s 919 334 m 11 3 d s 930 337 m 11 3 d s 963 345 m 15 5 d s 978 350 m 6 2 d s 1006 358 m 3 1 d s 1009 359 m 16 5 d s 1025 364 m 3 1 d s 1049 372 m 8 3 d s 1057 375 m 14 5 d s 1092 387 m 13 5 d s 1105 392 m 8 3 d s 1134 404 m 2 1 d s 1136 405 m 16 6 d s 1152 411 m 3 1 d s 1176 421 m 8 4 d s 1184 425 m 13 6 d s 1217 440 m 15 7 d s 1232 447 m 6 3 d s 1258 460 m 5 2 d s 1263 462 m 15 8 d s 1298 481 m 13 7 d s 1311 488 m 7 4 d s 1338 503 m 5 2 d s 1343 505 m 15 9 d s 1377 526 m 13 8 d s 1390 534 m 7 4 d s 1416 550 m 6 4 d s 1422 554 m 13 8 d s 1454 575 m s 1454 575 m 16 11 d s 1470 586 m 2 2 d s 1491 601 m 10 7 d s 1501 608 m 8 6 d s 1527 627 m 6 5 d s 1533 632 m 13 9 d s 1563 655 m 2 1 d s 1565 656 m 16 13 d s 1581 669 m s 1599 683 m 14 12 d s 1613 695 m 3 3 d s 1634 712 m 10 9 d s 1644 721 m 7 6 d s 1668 742 m 8 7 d s 1676 749 m 9 8 d s 1702 772 m 6 6 d s 1708 778 m 10 10 d s 1735 803 m 5 5 d s 1740 808 m 11 11 d s 1768 835 m 3 4 d s 1771 839 m 13 12 d s 1800 867 m 3 3 d s 1803 870 m 13 13 d s 1831 899 m 4 4 d s 1835 903 m 12 13 d s 1862 932 m 5 5 d s 1867 937 m 11 12 d s 1893 966 m 5 6 d s 1898 972 m 10 11 d s 1923 1000 m 7 7 d s 1930 1007 m 8 10 d s 1953 1034 m 9 10 d s 1962 1044 m 6 7 d s 1982 1068 m 12 14 d s 1994 1082 m 3 4 d s 2011 1103 m 14 17 d s 1587 1814 454 227 C 2268 2268 0 0 C 470 334 m 15 -2 d s 485 332 m 7 X s 515 332 m 2 X s 517 332 m 16 X s 533 332 m 4 X s 560 333 m 5 X s 565 333 m 16 X s 581 333 m 2 1 d s 605 334 m 7 1 d s 612 335 m 16 X s 651 336 m 9 1 d s 660 337 m 13 X s 696 339 m 12 X s 708 339 m 11 1 d s 741 342 m 14 1 d s 755 343 m 9 1 d s 787 345 m 1 Y s 787 346 m 16 1 d s 803 347 m 6 1 d s 832 350 m 3 X s 835 350 m 16 2 d s 851 352 m 3 1 d s 877 355 m 5 1 d s 882 356 m 16 2 d s 898 358 m 1 X s 922 362 m 8 1 d s 930 363 m 14 2 d s 966 369 m 12 2 d s 978 371 m 11 2 d s 1011 377 m 14 3 d s 1025 380 m 8 2 d s 1055 386 m 2 1 d s 1057 387 m 16 3 d s 1073 390 m 5 2 d s 1100 397 m 5 1 d s 1105 398 m 15 4 d s 1120 402 m 1 1 d s 1143 409 m 9 2 d s 1152 411 m 13 4 d s 1187 422 m 13 4 d s 1200 426 m 8 3 d s 1230 436 m 2 1 d s 1232 437 m 15 6 d s 1247 443 m 4 1 d s 1272 452 m 7 3 d s 1279 455 m 14 5 d s 1314 469 m 13 6 d s 1327 475 m 8 3 d s 1356 488 m 3 1 d s 1359 489 m 15 7 d s 1374 496 m 2 1 d s 1397 507 m 9 5 d s 1406 512 m 11 6 d s 1437 528 m 1 1 d s 1438 529 m 16 9 d s 1454 538 m 3 1 d s 1476 550 m 10 6 d s 1486 556 m 10 6 d s 1515 574 m 2 1 d s 1517 575 m 16 10 d s 1533 585 m 2 1 d s 1554 598 m 11 8 d s 1565 606 m 7 5 d s 1591 624 m 6 4 d s 1597 628 m 13 9 d s 1628 650 m 1 1 d s 1629 651 m 15 11 d s 1644 662 m 2 2 d s 1664 678 m 12 9 d s 1676 687 m 6 5 d s 1699 706 m 9 7 d s 1708 713 m 9 7 d s 1734 735 m 6 4 d s 1740 739 m 11 11 d s 1768 765 m 3 2 d s 1771 767 m 14 13 d s 1802 795 m 1 1 d s 1803 796 m 16 15 d s 1835 826 m 16 16 d s 1851 842 m s 1867 858 m 16 15 d s 1883 873 m 1 Y s 1899 891 m 15 15 d s 1914 906 m 1 1 d s 1930 923 m 16 17 d s 1961 957 m 1 1 d s 1962 958 m 14 16 d s 1991 991 m 3 2 d s 1994 993 m 12 15 d s 2021 1025 m 4 5 d s 1587 1814 454 227 C 2268 2268 0 0 C 470 446 m 15 -2 d s 485 444 m 7 X s 515 444 m 2 -1 d s 517 443 m 16 X s 533 443 m 4 X s 560 443 m 5 X s 565 443 m 16 -1 d s 581 442 m 2 X s 605 441 m 7 X s 612 441 m 16 X s 651 440 m 9 -1 d s 660 439 m 13 X s 696 438 m 12 -1 d s 708 437 m 11 X s 741 436 m 14 -1 d s 755 435 m 9 X s 787 434 m s 787 434 m 16 -1 d s 803 433 m 6 X s 832 432 m 3 X s 835 432 m 16 -1 d s 851 431 m 4 X s 877 430 m 5 X s 882 430 m 16 -1 d s 898 429 m 2 X s 923 429 m 7 X s 930 429 m 15 -1 d s 968 428 m 10 X s 978 428 m 13 X s 1013 428 m 12 X s 1025 428 m 11 X s 1059 429 m 14 X s 1073 429 m 8 X s 1104 430 m 1 X s 1105 430 m 15 1 d s 1120 431 m 7 1 d s 1149 433 m 3 1 d s 1152 434 m 16 1 d s 1168 435 m 4 X s 1195 438 m 5 X s 1200 438 m 16 2 d s 1216 440 m 1 1 d s 1240 444 m 7 1 d s 1247 445 m 15 2 d s 1284 451 m 11 2 d s 1295 453 m 12 3 d s 1329 460 m 14 4 d s 1343 464 m 8 2 d s 1373 471 m 1 1 d s 1374 472 m 16 4 d s 1390 476 m 5 1 d s 1416 484 m 6 2 d s 1422 486 m 16 5 d s 1459 499 m 11 3 d s 1470 502 m 10 4 d s 1501 515 m 16 6 d s 1517 521 m 5 3 d s 1543 533 m 6 3 d s 1549 536 m 15 6 d s 1584 553 m 13 6 d s 1597 559 m 7 4 d s 1624 574 m 5 2 d s 1629 576 m 15 9 d s 1663 596 m 13 8 d s 1676 604 m 7 4 d s 1702 621 m 6 3 d s 1708 624 m 13 9 d s 1739 646 m 1 X s 1740 646 m 16 11 d s 1756 657 m 2 2 d s 1776 672 m 11 9 d s 1787 681 m 7 5 d s 1812 700 m 7 5 d s 1819 705 m 11 9 d s 1848 728 m 3 3 d s 1851 731 m 14 12 d s 1882 758 m 1 X s 1883 758 m 15 14 d s 1898 772 m 1 1 d s 1916 788 m 14 13 d s 1930 801 m 2 3 d s 1949 819 m 13 13 d s 1962 832 m 3 3 d s 1981 851 m 13 12 d s 1994 863 m 3 4 d s 2013 883 m 12 13 d s 1587 1814 454 227 C 2268 2268 0 0 C 477 692 m 5 1 d s 482 693 m 3 2 d s 485 695 m 4 X s 489 695 m 10 -1 d s 522 692 m 11 -1 d s 533 691 m 12 -1 d s 567 688 m 14 -2 d s 581 686 m 9 -1 d s 612 681 m s 612 681 m 16 -3 d s 628 678 m 6 -1 d s 657 673 m 3 -1 d s 660 672 m 16 -3 d s 676 669 m 3 -1 d s 701 663 m 7 -2 d s 708 661 m 15 -4 d s 745 652 m 10 -3 d s 755 649 m 12 -4 d s 788 639 m 15 -4 d s 803 635 m 7 -3 d s 832 625 m 3 X s 835 625 m 16 -6 d s 851 619 m 2 -1 d s 875 611 m 7 -2 d s 882 609 m 14 -5 d s 918 597 m 12 -4 d s 930 593 m 9 -4 d s 961 582 m 1 X s 962 582 m 16 -6 d s 978 576 m 4 -1 d s 1004 567 m 5 -2 d s 1009 565 m 16 -5 d s 1047 553 m 10 -4 d s 1057 549 m 11 -3 d s 1090 539 m 15 -5 d s 1105 534 m 6 -2 d s 1133 525 m 3 -1 d s 1136 524 m 16 -4 d s 1152 520 m 3 -1 d s 1177 513 m 7 -2 d s 1184 511 m 15 -3 d s 1221 502 m 11 -2 d s 1232 500 m 11 -3 d s 1265 493 m 14 -3 d s 1279 490 m 8 -1 d s 1310 485 m 1 X s 1311 485 m 16 -2 d s 1327 483 m 5 -1 d s 1355 479 m 4 X s 1359 479 m 15 -1 d s 1374 478 m 3 -1 d s 1400 476 m 6 X s 1406 476 m 16 -1 d s 1422 475 m 1 X s 1445 475 m 9 X s 1454 475 m 14 X s 1491 477 m 10 X s 1501 477 m 12 1 d s 1536 481 m 13 2 d s 1549 483 m 9 1 d s 1581 488 m s 1581 488 m 16 3 d s 1597 491 m 6 2 d s 1625 498 m 4 1 d s 1629 499 m 15 4 d s 1644 503 m 3 1 d s 1669 510 m 7 3 d s 1676 513 m 14 5 d s 1711 525 m 13 5 d s 1724 530 m 8 4 d s 1753 543 m 3 1 d s 1756 544 m 15 7 d s 1771 551 m 3 1 d s 1794 562 m 9 5 d s 1803 567 m 11 6 d s 1834 583 m 1 1 d s 1835 584 m 16 9 d s 1851 593 m 3 2 d s 1873 607 m 10 6 d s 1883 613 m 9 6 d s 1911 631 m 3 3 d s 1914 634 m 16 10 d s 1948 658 m 14 10 d s 1962 668 m 4 3 d s 1984 685 m 10 8 d s 1994 693 m 8 6 d s 2019 714 m 6 5 d s 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 517 414 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=0.25) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 517 553 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=0.5) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 517 886 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=1.0) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 517 1811 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=2.0) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (=0.25) /Times-Roman 86 stwn gsave 1978 1055 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=0.25) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (=0.5) /Times-Roman 86 stwn gsave 1978 965 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=0.5) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (=1.0) /Times-Roman 86 stwn gsave 1978 838 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=1.0) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 86 stwn (s) /Times-Roman 60 stwn (=2.0) /Times-Roman 86 stwn gsave 1978 674 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (r) show currentpoint pop 0 t /Times-Roman findfont 60 sf 0 -29 m (s) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=2.0) show gr 1587 1814 454 227 C [] 0 sd 692 1497 m 159 X s 2268 2268 0 0 C [] 0 sd 692 1376 m 22 X s 737 1376 m 23 X s 782 1376 m 23 X s 828 1376 m 22 X s 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 898 1497 t 0 r 0 0 m /Symbol findfont 86 sf 0 0 m (z) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=0) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 898 1376 t 0 r 0 0 m /Symbol findfont 86 sf 0 0 m (z) show currentpoint pop 0 t /Times-Roman findfont 86 sf 0 0 m (=1) show gr 1587 1814 454 227 C gr gr showpage end %%EndDocument endTexFig -73 1859 a Fu(FIG.)23 b(7.)39 b(F)-6 b(unction)19 b Ft(P)11 b Fu(\()p Ft(r)647 1867 y Fr(s)680 1859 y Ft(;)i(\020)5 b(;)13 b(s)p Fu(\))19 b(of)h(Eq.)g(\(10a\))g(for)g(di\013eren)n(t)f(v)l (alues)-150 1950 y(of)28 b Ft(r)-26 1958 y Fr(s)35 1950 y Fu(for)g(the)f(unp)r(olarized)h(and)f(fully)h(p)r(olarized)g(cases,)i (using)e(the)-150 2042 y(PBE)f(functional.)-150 2291 y Fw(corrections)j(up)r(on)j(the)g(electron)f(densit)n(y)g(of)g(the)h (atom:)46 b(The)-150 2386 y(radii)35 b(of)g(the)h(h)n(ydrogen)d(atom)i 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y(width)31 b(of)g(the)f(sample)g(b)r(ecomes)h(in\014nite.)46 b(Because)29 b(the)i(bulk)-150 4790 y(is)23 b(uniform,)h(in)g(the)f (thermo)r(dynamic)g(limit)h Fk(h)p Fm(s)p Fk(i)g(!)f Fw(0)g(and)g(LSD)-150 4885 y(b)r(ecomes)29 b(exact.)40 b(Ho)n(w)n(ev)n(er,)28 b(the)h(surface)f(con)n(tribution)h(is)g(de-) -150 4980 y(termined)f(b)n(y)f(ho)n(w)g Fk(h)p Fm(s)p Fk(i)d(!)f Fw(0.)36 b(W)-7 b(e)28 b(\014nd)112 5159 y Fk(h)p Fm(r)181 5171 y Fh(s)217 5159 y Fk(i)c(!)f Fm(r)416 5171 y Fh(s)452 5159 y Fw(\(1)18 b(+)g(0)p Fm(:)p Fw(256)p Fm(=L)p Fw(\))p Fm(;)177 b Fw(\()p Fm(L)23 b Fk(!)g(1)p Fw(\))263 b(\(11\))-150 5337 y(and)2405 -48 y Fk(h)p Fm(s)p Fk(i)24 b(!)f Fm(O)e Fw(+)2815 -104 y Fm(\014)t Fw(\()p Fm(r)2935 -92 y Fh(s)2972 -104 y Fw(\))p 2815 -67 189 4 v 2847 -50 a Fk(p)p 2916 -50 57 4 v 70 x Fm(L)3014 -48 y(;)180 b Fw(\()p Fm(L)23 b Fk(!)g(1)p Fw(\))p Fm(;)364 b Fw(\(12\))2042 179 y(where)46 b Fm(L)53 b Fw(=)h(2)p Fm(k)2615 191 y Fh(F)2670 179 y Fm(W)2748 194 y Fn(1)p Fh(=)p Fn(2)2853 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FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D > } image } if PT 14 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 00 00 EE EF EE EF EE EF 0E E0 EE EE EE EE EE EE 00 EE FE EE FE EE FE EE 00 00 FE EF FE EF FE EF > } image } if PT 15 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF > } image } if PT 16 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF > } image } if PT 17 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF > } image } if PT 18 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF > } image } if PT 19 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 1F FC 67 F3 7B EF BD DE BD DE DE BD E6 B3 F8 0F E6 B3 DE BD BD DE BD DE 7B EF 67 F3 1F FC 7F FF > } image } if PT 20 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB DD DD EE EE EE EE EE EE DD DD BB BB BB BB BB BB > } image } if PT 21 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE 0E 0E EF EF EF EF EF EF E0 E0 FE FE FE FE FE FE > } image } if PT 22 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F 70 70 F7 F7 F7 F7 F7 F7 07 07 7F 7F 7F 7F 7F 7F > } image } if PT 23 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 AA AA 55 55 A9 A9 D1 D1 E1 E1 D1 D1 A9 A9 55 55 > } image } if PT 24 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC EA A8 D5 54 EA A8 D5 54 E8 28 D4 54 E8 E8 D4 D4 E8 EA 54 D5 A8 EA 54 D5 00 C0 00 80 > } image } if PT 25 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FE FF FC FF F8 FF F0 F0 00 F0 00 F0 20 F0 60 F0 E0 F1 E0 F3 E0 F0 00 E0 00 C0 00 80 00 00 00 > } image } if gr } def /FA { /PT exch def gsave clip 0 0 translate 1 1 54 { 1 sub 47.2 mul /Xcurr exch def 1 1 74 { 1 sub 47.2 mul /Ycurr exch def gsave Xcurr Ycurr translate PT DP gr } for } for gr } def /reencdict 24 dict def /ReEncode {reencdict begin /nco&na exch def /nfnam exch def /basefontname exch def /basefontdict basefontname findfont def /newfont basefontdict maxlength dict def basefontdict {exch dup /FID ne {dup /Encoding eq {exch dup length array copy newfont 3 1 roll put} {exch newfont 3 1 roll put} ifelse} {pop pop} ifelse } forall newfont /FontName nfnam put nco&na aload pop nco&na length 2 idiv {newfont /Encoding get 3 1 roll put} repeat nfnam newfont definefont pop end } def /accvec [ 176 /agrave 181 /Agrave 190 /acircumflex 192 /Acircumflex 201 /adieresis 204 /Adieresis 209 /ccedilla 210 /Ccedilla 211 /eacute 212 /Eacute 213 /egrave 214 /Egrave 215 /ecircumflex 216 /Ecircumflex 217 /edieresis 218 /Edieresis 219 /icircumflex 220 /Icircumflex 221 /idieresis 222 /Idieresis 223 /ntilde 224 /Ntilde 226 /ocircumflex 228 /Ocircumflex 229 /odieresis 230 /Odieresis 231 /ucircumflex 236 /Ucircumflex 237 /udieresis 238 /Udieresis 239 /aring 242 /Aring 243 /ydieresis 244 /Ydieresis 246 /aacute 247 /Aacute 252 /ugrave 253 /Ugrave] def /Times-Roman /Times-Roman accvec ReEncode /Times-Italic /Times-Italic accvec ReEncode /Times-Bold /Times-Bold accvec ReEncode /Times-BoldItalic /Times-BoldItalic accvec ReEncode /Helvetica /Helvetica accvec ReEncode /Helvetica-Oblique /Helvetica-Oblique accvec ReEncode /Helvetica-Bold /Helvetica-Bold accvec ReEncode /Helvetica-BoldOblique /Helvetica-BoldOblique accvec ReEncode /Courier /Courier accvec ReEncode /Courier-Oblique /Courier-Oblique accvec ReEncode /Courier-Bold /Courier-Bold accvec ReEncode /Courier-BoldOblique /Courier-BoldOblique accvec ReEncode /oshow {gsave [] 0 sd true charpath stroke gr} def /stwn { /fs exch def /fn exch def /text exch def fn findfont fs sf text sw pop xs add /xs exch def} def /stwb { /fs exch def /fn exch def /nbas exch def /textf exch def textf length /tlen exch def nbas tlen gt {/nbas tlen def} if fn findfont fs sf textf dup length nbas sub nbas getinterval sw pop neg xs add /xs exch def} def /accspe [ 65 /plusminus 66 /bar 67 /existential 68 /universal 69 /exclam 70 /numbersign 71 /greater 72 /question 73 /integral 74 /colon 75 /semicolon 76 /less 77 /bracketleft 78 /bracketright 79 /greaterequal 80 /braceleft 81 /braceright 82 /radical 83 /spade 84 /heart 85 /diamond 86 /club 87 /lessequal 88 /multiply 89 /percent 90 /infinity 48 /circlemultiply 49 /circleplus 50 /emptyset 51 /lozenge 52 /bullet 53 /arrowright 54 /arrowup 55 /arrowleft 56 /arrowdown 57 /arrowboth 48 /degree 44 /comma 43 /plus 45 /angle 42 /angleleft 47 /divide 61 /notequal 40 /equivalence 41 /second 97 /approxequal 98 /congruent 99 /perpendicular 100 /partialdiff 101 /florin 102 /intersection 103 /union 104 /propersuperset 105 /reflexsuperset 106 /notsubset 107 /propersubset 108 /reflexsubset 109 /element 110 /notelement 111 /gradient 112 /logicaland 113 /logicalor 114 /arrowdblboth 115 /arrowdblleft 116 /arrowdblup 117 /arrowdblright 118 /arrowdbldown 119 /ampersand 120 /omega1 121 /similar 122 /aleph ] def /Symbol /Special accspe ReEncode gsave .25 .25 scale gsave 0 0 t black [] 0 sd 1 lw 1587 1815 454 340 bl 1587 1815 454 340 C NC 454 340 m 1815 Y s 488 340 m -34 X s 471 441 m -17 X s 471 542 m -17 X s 471 643 m -17 X s 488 743 m -34 X s 471 844 m -17 X s 471 945 m -17 X s 471 1046 m -17 X s 488 1147 m -34 X s 471 1247 m -17 X s 471 1348 m -17 X s 471 1449 m -17 X s 488 1550 m -34 X s 471 1651 m -17 X s 471 1751 m -17 X s 471 1852 m -17 X s 488 1953 m -34 X s 488 340 m -34 X s 488 1953 m -34 X s 471 2054 m -17 X s /xs 0 def (0.86) /Times-Roman 86 stwn gsave 408 312 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.86) show gr /xs 0 def (0.88) /Times-Roman 86 stwn gsave 408 715 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.88) show gr /xs 0 def (0.9) /Times-Roman 86 stwn gsave 408 1118 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.9) show gr /xs 0 def (0.92) /Times-Roman 86 stwn gsave 408 1521 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.92) show gr /xs 0 def (0.94) /Times-Roman 86 stwn gsave 408 1925 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0.94) show gr 454 340 m 1587 X s 598 374 m -34 Y s 742 357 m -17 Y s 887 357 m -17 Y s 1031 357 m -17 Y s 1175 357 m -17 Y s 1320 374 m -34 Y s 1464 357 m -17 Y s 1608 357 m -17 Y s 1753 357 m -17 Y s 1897 357 m -17 Y s 2041 374 m -34 Y s 598 374 m -34 Y s /xs 0 def (1) /Times-Roman 86 stwn gsave 598 261 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 86 stwn gsave 1320 261 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 86 stwn gsave 2041 261 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (3) show gr 1587 1815 454 340 C 2268 2268 0 0 C /xs 0 def (d) /Times-Roman 103 stwn (react) /Times-Roman 72 stwn gsave 2041 172 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 103 sf 0 0 m (d) show currentpoint pop 0 t /Times-Roman findfont 72 sf 0 -34 m (react) show gr 1587 1815 454 340 C 3 lw 562 547 m 7 1 d 7 3 d 7 4 d 15 11 d 14 14 d 15 16 d 22 30 d 7 8 d 29 46 d 21 36 d 36 65 d 36 69 d 36 69 d 73 138 d 59 112 d 13 23 d 40 68 d 32 51 d 49 74 d 44 61 d 51 67 d 51 60 d 49 54 d 45 45 d 48 45 d 55 46 d 61 45 d 16 12 d 54 35 d 66 38 d 60 31 d 72 32 d 68 27 d 74 23 d 65 17 d 68 12 d 14 2 d s 2268 2268 0 0 C 1587 1815 454 340 C 2268 2268 0 0 C 1587 1815 454 340 C 2268 2268 0 0 C 5 lw 562 1147 m -807 Y s 589 386 m -27 -46 d -27 46 d s 1587 1815 454 340 C 2268 2268 0 0 C 1587 1815 454 340 C 2268 2268 0 0 C gsave 151 1751 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (\074s\076) show gr 1587 1815 454 340 C 2268 2268 0 0 C 1587 1815 454 340 C 2268 2268 0 0 C gsave 504 1187 t 0 r 0 0 m /Times-Roman findfont 86 sf 0 0 m (TS point) show gr 1587 1815 454 340 C gr gr showpage end %%EndDocument endTexFig 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y(b)n(y)h(National)h (Science)f(F)-7 b(oundation)27 b(Gran)n(t)f(DMR95-21353)e(at)-150 4539 y(T)-7 b(ulane.)p -150 4742 2043 4 v -114 5152 a Fq(1)-63 5183 y Fu(R.O.)27 b(Jones)i(and)e(O.)h(Gunnarsson,)h(Rev.)e (Mo)r(d.)i(Ph)n(ys.)e Fo(61)p Fu(,)i(689)-63 5275 y(\(1989\).)2042 -166 y 15476842 15476842 0 0 37298257 37298257 startTexFig 2042 -166 a %%BeginDocument: nlap.eps 80 dict begin /s {stroke} def /l {lineto} def /m {moveto} def /t {translate} def /sw {stringwidth} def /r {rotate} def /rl {roll} def /R {repeat} def /d {rlineto} def /rm {rmoveto} def /gr {grestore} def /f {eofill} def /c {setrgbcolor} def /lw {setlinewidth} def /sd {setdash} def /cl {closepath} def /sf {scalefont setfont} def /black {0 setgray} def /box {m dup 0 exch d exch 0 d 0 exch neg d cl} def /NC{systemdict begin initclip end}def/C{NC box clip newpath}def /bl {box s} def /bf {box f} def /Y { 0 exch d} def /X { 0 d} def /mp {newpath /y exch def /x exch def} def /side {[w .77 mul w .23 mul] .385 w mul sd w 0 l currentpoint t -144 r} def /mr {mp x y w2 0 360 arc} def /m24 {mr s} def /m20 {mr f} def /mb {mp x y w2 add m w2 neg 0 d 0 w neg d w 0 d 0 w d cl} def /mt {mp x y w2 add m w2 neg w neg d w 0 d cl} def /m21 {mb f} def /m25 {mb s} def /m22 {mt f} def /m26 {mt s} def /m23 {mp x y w2 sub m w2 w d w neg 0 d cl f} def /m27 {mp x y w2 add m w3 neg w2 neg d w3 w2 neg d w3 w2 d cl s} def /m28 {mp x w2 sub y w2 sub w3 add m w3 0 d 0 w3 neg d w3 0 d 0 w3 d w3 0 d 0 w3 d w3 neg 0 d 0 w3 d w3 neg 0 d 0 w3 neg d w3 neg 0 d cl s } def /m29 {mp gsave x w2 sub y w2 add w3 sub m currentpoint t 4 {side} repeat cl fill gr} def /m30 {mp gsave x w2 sub y w2 add w3 sub m currentpoint t 5 {side} repeat s gr} def /m31 {mp x y w2 sub m 0 w d x w2 sub y m w 0 d x w2 sub y w2 add m w w neg d x w2 sub y w2 sub m w w d s} def /m2 {mp x y w2 sub m 0 w d x w2 sub y m w 0 d s} def /m5 {mp x w2 sub y w2 sub m w w d x w2 sub y w2 add m w w neg d s} def /DP {/PT exch def gsave 47.2 47.2 scale PT 1 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 AA AA 55 55 > } image } if PT 2 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE BB BB EE EE > } image } if PT 3 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE FF FF BB BB FF FF EE EE > } image } if PT 4 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DF DF BF BF 7F 7F FE FE FD FD FB FB F7 F7 EF EF DF DF BF BF 7F 7F FE FE FD FD FB FB F7 F7 EF EF > } image } if PT 5 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 7F 7F BF B F DF DF EF EF F7 F7 FB FB FD FD FE FE 7F 7F BF BF DF DF EF EF F7 F7 FB FB FD FD FE FE > } image } if PT 6 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB BB > } image } if PT 7 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 FF FF FF FF FF FF 00 00 > } image } if PT 8 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 EE EE 47 47 83 83 C5 C5 EE EE 5C 5C 38 38 74 74 > } image } if PT 9 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 EF EF EF EF D7 D7 38 38 FE FE FE FE 7D 7D 83 83 > } image } if PT 10 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 EF EF EF EF EF EF 00 00 FE FE FE FE FE FE 00 00 > } image } if PT 11 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F7 F7 B6 B6 D5 D5 E3 E3 D5 D5 B6 B6 F7 F7 FF FF 7F 7F 6B 6B 5D 5D 3E 3E 5D 5D 6B 6B 7F 7F FF FF > } image } if PT 12 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < E3 E3 DD DD BE BE BE BE BE BE DD DD E3 E3 FF FF 3E 3E DD DD EB EB EB EB EB EB DD DD 3E 3E FF FF > } image } if PT 13 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D FE FE 7D 7D BB BB D7 D7 EF EF D7 D7 BB BB 7D 7D > } image } if PT 14 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 00 00 EE EF EE EF EE EF 0E E0 EE EE EE EE EE EE 00 EE FE EE FE EE FE EE 00 00 FE EF FE EF FE EF > } image } if PT 15 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF DD DD AA AA DD DD FF FF 77 77 AA AA 77 77 FF FF > } image } if PT 16 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF F1 F1 EE EE 1F 1F FF FF > } image } if PT 17 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF EE EE DD DD BB BB FF FF > } image } if PT 18 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF BB BB DD DD EE EE FF FF > } image } if PT 19 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < 1F FC 67 F3 7B EF BD DE BD DE DE BD E6 B3 F8 0F E6 B3 DE BD BD DE BD DE 7B EF 67 F3 1F FC 7F FF > } image } if PT 20 eq { 16 16 1 [ 16 0 0 16 neg 0 16 ] { < DD DD 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47.2 mul /Ycurr exch def gsave Xcurr Ycurr translate PT DP gr } for } for gr } def /reencdict 24 dict def /ReEncode {reencdict begin /nco&na exch def /nfnam exch def /basefontname exch def /basefontdict basefontname findfont def /newfont basefontdict maxlength dict def basefontdict {exch dup /FID ne {dup /Encoding eq {exch dup length array copy newfont 3 1 roll put} {exch newfont 3 1 roll put} ifelse} {pop pop} ifelse } forall newfont /FontName nfnam put nco&na aload pop nco&na length 2 idiv {newfont /Encoding get 3 1 roll put} repeat nfnam newfont definefont pop end } def /accvec [ 176 /agrave 181 /Agrave 190 /acircumflex 192 /Acircumflex 201 /adieresis 204 /Adieresis 209 /ccedilla 210 /Ccedilla 211 /eacute 212 /Eacute 213 /egrave 214 /Egrave 215 /ecircumflex 216 /Ecircumflex 217 /edieresis 218 /Edieresis 219 /icircumflex 220 /Icircumflex 221 /idieresis 222 /Idieresis 223 /ntilde 224 /Ntilde 226 /ocircumflex 228 /Ocircumflex 229 /odieresis 230 /Odieresis 231 /ucircumflex 236 /Ucircumflex 237 /udieresis 238 /Udieresis 239 /aring 242 /Aring 243 /ydieresis 244 /Ydieresis 246 /aacute 247 /Aacute 252 /ugrave 253 /Ugrave] def /Times-Roman /Times-Roman accvec ReEncode /Times-Italic /Times-Italic accvec ReEncode /Times-Bold /Times-Bold accvec ReEncode /Times-BoldItalic /Times-BoldItalic accvec ReEncode /Helvetica /Helvetica accvec ReEncode /Helvetica-Oblique /Helvetica-Oblique accvec ReEncode /Helvetica-Bold /Helvetica-Bold accvec ReEncode /Helvetica-BoldOblique /Helvetica-BoldOblique accvec ReEncode /Courier /Courier accvec ReEncode /Courier-Oblique /Courier-Oblique accvec ReEncode /Courier-Bold /Courier-Bold accvec ReEncode /Courier-BoldOblique /Courier-BoldOblique accvec ReEncode /oshow {gsave [] 0 sd true charpath stroke gr} def /stwn { /fs exch def /fn exch def /text exch def fn findfont fs sf text sw pop xs add /xs exch def} def /stwb { /fs exch def /fn exch def /nbas exch def /textf exch def textf length /tlen exch def nbas tlen gt {/nbas tlen def} if fn findfont fs sf textf dup length nbas sub nbas getinterval sw pop neg xs add /xs exch def} def /accspe [ 65 /plusminus 66 /bar 67 /existential 68 /universal 69 /exclam 70 /numbersign 71 /greater 72 /question 73 /integral 74 /colon 75 /semicolon 76 /less 77 /bracketleft 78 /bracketright 79 /greaterequal 80 /braceleft 81 /braceright 82 /radical 83 /spade 84 /heart 85 /diamond 86 /club 87 /lessequal 88 /multiply 89 /percent 90 /infinity 48 /circlemultiply 49 /circleplus 50 /emptyset 51 /lozenge 52 /bullet 53 /arrowright 54 /arrowup 55 /arrowleft 56 /arrowdown 57 /arrowboth 48 /degree 44 /comma 43 /plus 45 /angle 42 /angleleft 47 /divide 61 /notequal 40 /equivalence 41 /second 97 /approxequal 98 /congruent 99 /perpendicular 100 /partialdiff 101 /florin 102 /intersection 103 /union 104 /propersuperset 105 /reflexsuperset 106 /notsubset 107 /propersubset 108 /reflexsubset 109 /element 110 /notelement 111 /gradient 112 /logicaland 113 /logicalor 114 /arrowdblboth 115 /arrowdblleft 116 /arrowdblup 117 /arrowdblright 118 /arrowdbldown 119 /ampersand 120 /omega1 121 /similar 122 /aleph ] def /Symbol /Special accspe ReEncode gsave .25 .25 scale gsave 0 0 t black [] 0 sd 1 lw 1587 1814 454 227 bl 1587 1814 454 227 C NC 454 227 m 1814 Y s 488 227 m -34 X s 471 299 m -17 X s 471 372 m -17 X s 471 445 m -17 X s 471 517 m -17 X s 488 590 m -34 X s 471 662 m -17 X s 471 735 m -17 X s 471 807 m -17 X s 471 880 m -17 X s 488 953 m -34 X s 471 1025 m -17 X s 471 1098 m -17 X s 471 1170 m -17 X s 471 1243 m -17 X s 488 1315 m -34 X s 471 1388 m -17 X s 471 1461 m -17 X s 471 1533 m -17 X s 471 1606 m -17 X s 488 1678 m -34 X s 471 1751 m -17 X s 471 1823 m -17 X s 471 1896 m -17 X s 471 1969 m -17 X s 488 2041 m -34 X s /xs 0 def (-1) /Times-Roman 86 stwn gsave 408 198 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (-1) show gr /xs 0 def (0) /Times-Roman 86 stwn gsave 408 561 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 86 stwn gsave 408 924 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 86 stwn gsave 408 1287 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 86 stwn gsave 408 1650 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (3) show gr /xs 0 def (4) /Times-Roman 86 stwn gsave 408 2013 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (4) show gr 454 227 m 1587 X s 454 261 m -34 Y s 559 244 m -17 Y s 665 244 m -17 Y s 771 244 m -17 Y s 877 244 m -17 Y s 983 261 m -34 Y s 1089 244 m -17 Y s 1194 244 m -17 Y s 1300 244 m -17 Y s 1406 244 m -17 Y s 1512 261 m -34 Y s 1618 244 m -17 Y s 1724 244 m -17 Y s 1830 244 m -17 Y s 1935 244 m -17 Y s 2041 261 m -34 Y s /xs 0 def (0) /Times-Roman 86 stwn gsave 454 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (0) show gr /xs 0 def (1) /Times-Roman 86 stwn gsave 983 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (1) show gr /xs 0 def (2) /Times-Roman 86 stwn gsave 1512 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (2) show gr /xs 0 def (3) /Times-Roman 86 stwn gsave 2041 147 t 0 r xs 2 div neg 0 t 0 0 m /Times-Roman findfont 86 sf 0 0 m (3) show gr 1587 1814 454 227 C 2268 2268 0 0 C /xs 0 def (r) /Times-Roman 103 stwn gsave 2041 59 t 0 r xs neg 0 t 0 0 m /Times-Roman findfont 103 sf 0 0 m (r) show gr 1587 1814 454 227 C 3 lw 460 -124 m 146 Y 1 44 d 1 46 d 43 Y 2 43 d 1 34 d 1 33 d 7 Y 2 22 d 5 65 d 4 55 d 1 18 d 1 6 d 2 12 d 4 16 d 7 18 d 6 22 d 7 24 d 6 18 d 6 14 d 7 11 d 6 12 d 6 15 d 7 18 d 6 21 d 6 22 d 7 23 d 6 24 d 6 24 d 7 25 d 6 27 d 7 28 d 6 32 d 6 34 d 7 38 d 6 39 d 6 41 d 7 42 d 6 39 d 6 36 d 7 30 d 5 20 d 1 4 d 5 12 d 2 3 d 4 5 d 2 1 d 5 -2 d 1 -2 d 5 -9 d 2 -4 d 5 -16 d 1 -5 d 6 -28 d 7 -33 d 6 -38 d 6 -40 d 7 -42 d 6 -41 d 7 -40 d 6 -39 d 6 -36 d 7 -34 d 6 -31 d 6 -29 d 7 -26 d 6 -23 d 6 -21 d 7 -19 d 6 -16 d 7 -15 d 6 -12 d 6 -11 d 7 -10 d 6 -8 d 6 -6 d 7 -6 d 6 -5 d 6 -4 d 7 -3 d 6 -2 d 7 -2 d 6 -1 d 6 -1 d 13 X 6 1 d 7 1 d 6 1 d 6 1 d 7 2 d 6 2 d 7 1 d 6 3 d 6 2 d 7 2 d 6 2 d 6 3 d 7 3 d 6 2 d 6 3 d 7 3 d 6 3 d 7 3 d 6 3 d 6 3 d 7 3 d 6 3 d 6 4 d 7 3 d 6 3 d 6 3 d 7 4 d 6 3 d 7 3 d 6 4 d 6 3 d 7 3 d 6 4 d 6 3 d 7 4 d 6 3 d 6 3 d 7 4 d 6 3 d 7 4 d 6 4 d 6 3 d 7 4 d 6 3 d 6 4 d 7 4 d 6 4 d 6 4 d 7 3 d 6 4 d 7 4 d 6 5 d 6 4 d 7 4 d 6 4 d 6 5 d 7 4 d 6 5 d 6 5 d 7 4 d 6 5 d 7 5 d 6 6 d 6 5 d 7 5 d 6 6 d 6 6 d 7 6 d 6 6 d 6 6 d 7 6 d 6 7 d 7 7 d 6 7 d 6 7 d 7 7 d 6 8 d 6 7 d 7 8 d 6 8 d 6 8 d 7 9 d 6 8 d 7 9 d 6 9 d 6 10 d 7 9 d 6 10 d 6 10 d 7 10 d 6 10 d 6 10 d 7 11 d 6 11 d 7 11 d 6 11 d 6 11 d 7 12 d 6 11 d 6 12 d 7 12 d 6 12 d 6 13 d 7 12 d 6 13 d 7 13 d 6 12 d 6 13 d 7 14 d 6 13 d 6 13 d 7 13 d 6 14 d 6 14 d 7 13 d 6 14 d 7 14 d 6 14 d 6 14 d 7 14 d 6 14 d 6 14 d 7 14 d 6 14 d 6 14 d 7 15 d 6 14 d 6 14 d 7 15 d 6 14 d 7 14 d 6 15 d 6 14 d 7 15 d s 1752 1514 m 6 14 d 6 15 d 7 14 d 6 15 d 6 15 d 7 14 d 6 15 d 7 15 d 6 15 d 6 15 d 7 14 d 6 16 d 6 15 d 7 15 d 6 15 d 6 16 d 7 15 d 6 16 d 7 16 d 6 16 d 6 16 d 7 16 d 6 17 d 6 17 d 7 17 d 6 17 d 6 18 d 7 18 d 6 18 d 7 18 d 6 19 d 6 20 d 7 19 d s 2268 2268 0 0 C 454 1953 m 3 -13 d s 457 1940 m 2 -9 d s 463 1908 m 3 -19 d s 466 1889 m 1 -3 d s 471 1864 m 2 -10 d s 473 1854 m 2 -13 d s 479 1819 m s 479 1819 m 4 -22 d s 488 1774 m 4 -21 d s 492 1753 m -1 Y s 496 1730 m 2 -9 d s 498 1721 m 3 -13 d s 506 1685 m 4 -22 d s 515 1641 m 2 -9 d s 517 1632 m 3 -13 d s 525 1597 m 5 -20 d s 530 1577 m 1 -2 d s 536 1553 m -2 Y s 536 1551 m 5 -20 d s 547 1509 m 2 -8 d s 549 1501 m 4 -14 d s 559 1465 m 3 -12 d s 562 1453 m 3 -10 d s 571 1421 m 3 -12 d s 574 1409 m 3 -9 d s 584 1378 m 3 -10 d s 587 1368 m 4 -12 d s 598 1335 m 2 -5 d s 600 1330 m 6 -17 d s 614 1292 m 5 -14 d s 619 1278 m 3 -7 d s 631 1250 m 1 -2 d s 632 1248 m 6 -14 d s 638 1234 m 2 -4 d s 650 1209 m 1 -1 d s 651 1208 m 6 -11 d s 657 1197 m 4 -8 d s 674 1171 m 2 -4 d s 676 1167 m 7 -8 d s 683 1159 m 5 -6 d s 704 1137 m 4 -4 d s 708 1133 m 6 -4 d s 714 1129 m 7 -5 d s 721 1124 m 1 -1 d s 742 1113 m 4 -2 d s 746 1111 m 7 -3 d s 753 1108 m 6 -2 d s 759 1106 m 4 -2 d s 785 1098 m 6 -2 d s 791 1096 m 6 -1 d s 797 1095 m 7 -2 d s 804 1093 m 3 -1 d s 829 1087 m 6 -2 d s 835 1085 m 7 -1 d s 842 1084 m 6 -2 d s 848 1082 m 3 X s 873 1077 m 1 -1 d s 874 1076 m 6 -1 d s 880 1075 m 6 -2 d s 886 1073 m 7 -1 d s 893 1072 m 2 -1 d s 917 1065 m 1 X s 918 1065 m 6 -2 d s 924 1063 m 7 -1 d s 931 1062 m 6 -2 d s 937 1060 m 2 -1 d s 961 1053 m 2 X s 963 1053 m 6 -2 d s 969 1051 m 6 -2 d s 975 1049 m 7 -2 d s 982 1047 m 1 X s 1005 1041 m 2 -1 d s 1007 1040 m 7 -2 d s 1014 1038 m 6 -2 d s 1020 1036 m 6 -2 d s 1048 1028 m 4 -1 d s 1052 1027 m 6 -2 d s 1058 1025 m 6 -2 d s 1064 1023 m 6 -2 d s 1091 1015 m 5 -2 d s 1096 1013 m 7 -2 d s 1103 1011 m 6 -2 d s 1109 1009 m 4 -1 d s 1135 1002 m 6 -2 d s 1141 1000 m 6 -2 d s 1147 998 m 7 -2 d s 1154 996 m 3 -1 d s 1178 989 m 1 -1 d s 1179 988 m 6 -1 d s 1185 987 m 7 -2 d s 1192 985 m 6 -2 d s 1198 983 m 2 -1 d s 1222 976 m 2 -1 d s 1224 975 m 6 -2 d s 1230 973 m 6 -1 d s 1236 972 m 7 -2 d s 1243 970 m 1 X s 1265 963 m 3 -1 d s 1268 962 m 6 -1 d s 1274 961 m 7 -2 d s 1281 959 m 6 -2 d s 1287 957 m s 1309 951 m 4 -1 d s 1313 950 m 6 -2 d s 1319 948 m 6 -2 d s 1325 946 m 6 -1 d s 1353 939 m 4 -1 d s 1357 938 m 7 -2 d s 1364 936 m 6 -2 d s 1370 934 m 5 -1 d s 1397 927 m 5 -1 d s 1402 926 m 6 -2 d s 1408 924 m 6 -2 d s 1414 922 m 5 -1 d s 1440 916 m 6 -2 d s 1446 914 m 7 -2 d s 1453 912 m 6 -1 d s 1459 911 m 3 -1 d s 1484 904 m 7 -1 d s 1491 903 m 6 -2 d s 1497 901 m 7 -1 d s 1504 900 m 2 -1 d s 1528 894 m 1 X s 1529 894 m 6 -2 d s 1535 892 m 7 -1 d s 1542 891 m 6 -2 d s 1548 889 m 3 -1 d s 1573 883 m 1 X s 1574 883 m 6 -1 d s 1580 882 m 6 -2 d s 1586 880 m 7 -1 d s 1593 879 m 2 -1 d s 1617 873 m 1 X s 1618 873 m 6 -1 d s 1624 872 m 7 -2 d s 1631 870 m 6 -1 d s 1637 869 m 2 X s 1661 864 m 2 X s 1663 864 m 6 -2 d s 1669 862 m 6 -1 d s 1675 861 m 7 -1 d s 1682 860 m 1 -1 d s 1706 855 m 1 -1 d s 1707 854 m 6 -1 d s 1713 853 m 7 -1 d s 1720 852 m 6 -1 d s 1726 851 m 2 -1 d s 1587 1814 454 227 C 2268 2268 0 0 C 1745 847 m 7 -1 d s 1752 846 m 6 -1 d s 1758 845 m 6 -2 d s 1764 843 m 4 X s 1790 839 m 6 -2 d s 1796 837 m 7 -1 d s 1803 836 m 6 -1 d s 1809 835 m 3 X s 1835 831 m 6 -1 d s 1841 830 m 6 -2 d s 1847 828 m 6 -1 d s 1853 827 m 4 X s 1879 823 m 6 -1 d s 1885 822 m 7 -1 d s 1892 821 m 6 -1 d s 1898 820 m 4 -1 d s 1924 816 m 6 -1 d s 1930 815 m 6 -1 d s 1936 814 m 7 -1 d s 1943 813 m 3 -1 d s 1969 809 m 5 -1 d s 1974 808 m 7 -1 d s 1981 807 m 6 -1 d s 1987 806 m 4 -1 d s 2014 802 m 5 -1 d s 2019 801 m 6 -1 d s 2025 800 m 7 -1 d s 2032 799 m 4 X s 1587 1814 454 227 C 2268 2268 0 0 C 1 lw 638 227 m 22 Y s 638 272 m 23 Y s 638 318 m 22 Y s 638 363 m 23 Y s 638 408 m 23 Y s 638 454 m 22 Y s 638 499 m 23 Y s 638 544 m 23 Y s 638 590 m 22 Y s 638 635 m 23 Y s 638 680 m 23 Y s 638 726 m 22 Y s 638 771 m 23 Y s 638 816 m 23 Y s 638 862 m 23 Y s 638 907 m 23 Y s 638 953 m 22 Y s 638 998 m 23 Y s 638 1043 m 23 Y s 638 1089 m 22 Y s 638 1134 m 23 Y s 638 1179 m 23 Y s 638 1225 m 22 Y s 638 1270 m 23 Y s 638 1315 m 23 Y s 638 1361 m 22 Y s 638 1406 m 23 Y s 638 1452 m 22 Y s 638 1497 m 23 Y s 638 1542 m 23 Y s 638 1588 m 22 Y s 638 1633 m 23 Y s 638 1678 m 23 Y s 638 1724 m 22 Y s 638 1769 m 23 Y s 638 1814 m 23 Y s 638 1860 m 22 Y s 638 1905 m 23 Y s 638 1950 m 23 Y s 638 1996 m 23 Y s 1587 1814 454 227 C 2268 2268 0 0 C 823 227 m 22 Y s 823 272 m 23 Y s 823 318 m 22 Y s 823 363 m 23 Y s 823 408 m 23 Y s 823 454 m 22 Y s 823 499 m 23 Y s 823 544 m 23 Y s 823 590 m 22 Y s 823 635 m 23 Y s 823 680 m 23 Y s 823 726 m 22 Y s 823 771 m 23 Y s 823 816 m 23 Y s 823 862 m 23 Y s 823 907 m 23 Y s 823 953 m 22 Y s 823 998 m 23 Y s 823 1043 m 23 Y s 823 1089 m 22 Y s 823 1134 m 23 Y s 823 1179 m 23 Y s 823 1225 m 22 Y s 823 1270 m 23 Y s 823 1315 m 23 Y s 823 1361 m 22 Y s 823 1406 m 23 Y s 823 1452 m 22 Y s 823 1497 m 23 Y s 823 1542 m 23 Y s 823 1588 m 22 Y s 823 1633 m 23 Y s 823 1678 m 23 Y s 823 1724 m 22 Y s 823 1769 m 23 Y s 823 1814 m 23 Y s 823 1860 m 22 Y s 823 1905 m 23 Y s 823 1950 m 23 Y s 823 1996 m 23 Y s 1587 1814 454 227 C 2268 2268 0 0 C 1487 227 m 22 Y s 1487 272 m 23 Y s 1487 318 m 22 Y s 1487 363 m 23 Y s 1487 408 m 23 Y s 1487 454 m 22 Y s 1487 499 m 23 Y s 1487 544 m 23 Y s 1487 590 m 22 Y s 1487 635 m 23 Y s 1487 680 m 23 Y s 1487 726 m 22 Y s 1487 771 m 23 Y s 1487 816 m 23 Y s 1487 862 m 23 Y s 1487 907 m 23 Y s 1487 953 m 22 Y s 1487 998 m 23 Y s 1487 1043 m 23 Y s 1487 1089 m 22 Y s 1487 1134 m 23 Y s 1487 1179 m 23 Y s 1487 1225 m 22 Y s 1487 1270 m 23 Y s 1487 1315 m 23 Y s 1487 1361 m 22 Y s 1487 1406 m 23 Y s 1487 1452 m 22 Y s 1487 1497 m 23 Y s 1487 1542 m 23 Y s 1487 1588 m 22 Y s 1487 1633 m 23 Y s 1487 1678 m 23 Y s 1487 1724 m 22 Y s 1487 1769 m 23 Y s 1487 1814 m 23 Y s 1487 1860 m 22 Y s 1487 1905 m 23 Y s 1487 1950 m 23 Y s 1487 1996 m 23 Y s 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 533 1683 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (c.) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 671 1683 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (CV) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 877 1683 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (valence) show gr 1587 1814 454 227 C 2268 2268 0 0 C 1587 1814 454 227 C 2268 2268 0 0 C gsave 1565 1683 t 0 r 0 0 m /Times-Roman findfont 103 sf 0 0 m (tail) show gr 1587 1814 454 227 C gr gr showpage end %%EndDocument endTexFig 2119 1867 a Fu(FIG.)23 b(9.)39 b(The)25 b(reduced)e(Laplacian)j Fp(r)3254 1835 y Fq(2)3288 1867 y Ft(n=)p Fu(\(2)p Ft(k)3480 1875 y Fr(F)3532 1867 y Fu(\))3562 1835 y Fq(2)3596 1867 y Ft(n)f Fu(\(solid)g(curv)n(e\))2042 1958 y(for)f(the)f(N)g(atom.)33 b(The)24 b(regions)h(mark)n(ed)d(are)i(those)g(of)g(Fig.)g(2.)35 b(Also)2042 2049 y(sho)n(wn)22 b(is)g(the)g(dimensionless)g(ratio)h Ft(k)3168 2057 y Fr(F)3219 2049 y Ft(=k)3297 2057 y Fr(s)3352 2049 y Fu(\(dashed)f(curv)n(e\),)g(where)2042 2141 y Ft(k)2082 2149 y Fr(F)2158 2141 y Fu(and)k Ft(k)2348 2149 y Fr(s)2406 2141 y Fu(are)h(the)e(lo)r(cal)i(F)-6 b(ermi)25 b(and)g(screening)i(w)n(a)n(v)n(ev)n(ectors.)2078 2373 y Fq(2)2129 2404 y Fu(R.G.)39 b(P)n(arr)h(and)f(W.)h(Y)-6 b(ang,)43 b Fc(Densit)n(y)38 b(F)-6 b(unctional)40 b(Theory)f(of)2129 2496 y(A)n(toms)24 b(and)i(Molecules)h Fu(\(Oxford,)f(New)g(Y)-6 b(ork,)25 b(1989\).)2078 2555 y Fq(3)2129 2587 y Fu(R.M.)i(Dreizler)g (and)f(E.K.U.)h(Gross,)i Fc(Densit)n(y)d(F)-6 b(unctional)26 b(The-)2129 2678 y(ory)51 b Fu(\(Springer-V)-6 b(erlag,)26 b(Berlin,)h(1990\).)2078 2738 y Fq(4)2129 2770 y Fu(J.M.)46 b(Seminario)f(and)g(P)-6 b(.)45 b(P)n(olitzer)i(\(eds.\))e Fc(Mo)r(dern)h(Densit)n(y)2129 2861 y(F)-6 b(unctional)27 b(Theory:)37 b(A)26 b(T)-6 b(o)r(ol)28 b(for)g(Chemistry)e Fu(\(Elsevier,)j(Ams-)2129 2952 y(terdam,)c(1995\).)2078 3012 y Fq(5)2129 3044 y Fu(P)-6 b(.)20 b(Hohen)n(b)r(erg)g(and)g(W.)g (Kohn,)h(Ph)n(ys.)f(Rev.)g Fo(136)p Fu(,)i(B)e(864)h(\(1964\).)2078 3103 y Fq(6)2129 3135 y Fu(W.)26 b(Kohn)f(and)g(L.J.)i(Sham,)d(Ph)n (ys.)i(Rev.)f Fo(140)p Fu(,)i(A)e(1133)i(\(1965\).)2078 3194 y Fq(7)2129 3226 y Fu(J.P)-6 b(.)22 b(P)n(erdew)g(and)f(K.)g(Burk) n(e,)h(In)n(t.)f(J.)h(Quan)n(tum)d(Chem.)i Fo(57)p Fu(,)i(309)2129 3318 y(\(1996\).)2078 3377 y Fq(8)2129 3409 y Fu(J.P)-6 b(.)22 b(P)n(erdew,)h(K.)e(Burk)n(e,)h(and)e(M.)i(Ernzerhof,)h(Ph)n (ys.)e(Rev.)g(Lett.)2129 3500 y Fo(77)p Fu(,)26 b(3865)h(\(1996\).)h (See)d(also)i(Ref.)f(52.)2078 3560 y Fq(9)2129 3592 y Fu(N.)18 b(Moll,)j(M.)e(Bo)r(c)n(kstedte,)h(M.)f(F)-6 b(uc)n(hs,)19 b(E.)f(P)n(ehlk)n(e,)i(and)e(M.)h(Sc)n(hef-)2129 3683 y(\015er,)26 b(Ph)n(ys.)f(Rev.)g(B)h Fo(52)p Fu(,)h(2550)g (\(1995\).)2047 3742 y Fq(10)2129 3774 y Fu(P)-6 b(.H.T.)21 b(Philipsen)f(and)g(E.J.)h(Baerends,)i(Ph)n(ys.)d(Rev.)f(B)i Fo(54)p Fu(,)h(5326)2129 3865 y(\(1996\).)2047 3925 y Fq(11)2129 3957 y Fu(M.)k(T)-6 b(aut,)26 b(J.)g(Ph)n(ys.)g(C)g Fo(19)p Fu(,)g(6009)h(\(1986\).)2047 4016 y Fq(12)2129 4048 y Fu(A.)k(Zupan,)i(J.P)-6 b(.)32 b(P)n(erdew,)i(K.)e(Burk)n(e,)h (and)e(M.)i(Caus\023)-38 b(a,)34 b(In)n(t.)d(J.)2129 4139 y(Quan)n(tum)23 b(Chem.)i Fo(61)p Fu(,)i(835)g(\(1997\).)2047 4199 y Fq(13)2129 4231 y Fu(R.)e(Do)n(v)n(esi,)h(C.)g(Pisani,)h(C.)f (Ro)r(etti,)g(M.)g(Caus\022)-38 b(a)26 b(and)f(V.R.)g(Saun-)2129 4322 y(ders)g(\(unpublished\).)2047 4382 y Fq(14)2129 4413 y Fu(R.)g(Do)n(v)n(esi,)h(V.R.)g(Saunders,)f(and)g(C.)i(Ro)r(etti) f(\(unpublished\).)2047 4473 y Fq(15)2129 4505 y Fu(C.)31 b(Pisani,)j(R.)d(Do)n(v)n(esi,)h(and)f(C.)g(Ro)r(etti,)i Fv(HF)f(A)n(b)h(Initio)e(T)-6 b(r)l(e)l(at-)2129 4596 y(ment)35 b(of)f(Crystal)t(line)h(Systems)p Fu(,)h(V)-6 b(ol.)34 b(48)f(of)h Fv(L)l(e)l(ctur)l(e)j(Notes)e(in)2129 4687 y(Chemistry)28 b(Series)f Fu(\(Springer-V)-6 b(erlag,)26 b(Berlin,)g(1988\).)2047 4747 y Fq(16)2129 4779 y Fu(M.)d(T)-6 b(o)n(wler,)24 b(A.)f(Zupan,)f(M.)h(Caus\022)-38 b(a,)25 b(Comp.)d(Ph)n(ys.)g(Comm.,)g Fo(98)p Fu(,)2129 4870 y(181)27 b(\(1996\).)2047 4930 y Fq(17)2129 4961 y Fu(J.P)-6 b(.)20 b(P)n(erdew,)i(in)d Fc(Electronic)i(Structure)d(of)j(Solids)f ('91)p Fu(,)i(edited)d(b)n(y)2129 5053 y(P)-6 b(.)21 b(Ziesc)n(he)h(and)g(H.)f(Esc)n(hrig)i(\(Ak)l(ademie)d(V)-6 b(erlag,)23 b(Berlin,)g(1991\),)2129 5144 y(page)j(11.)2047 5204 y Fq(18)2129 5235 y Fu(J.P)-6 b(.)19 b(P)n(erdew,)i(J.A.)e(Chev)l (ary)-6 b(,)20 b(S.H.)e(V)-6 b(osk)n(o,)20 b(K.A.)f(Jac)n(kson,)i(M.R.) 2129 5327 y(P)n(ederson,)34 b(D.J.)f(Singh,)h(and)e(C.)h(Fiolhais,)j (Ph)n(ys.)c(Rev.)g(B)g Fo(46)p Fu(,)1946 5608 y Fw(9)p eop %%Page: 10 10 10 9 bop -63 -83 a Fu(6671)27 b(\(1992\);)g Fo(48)p Fu(,)g(4978)g (\(1993\))g(\(E\).)-145 -23 y Fq(19)-63 8 y Fu(J.P)-6 b(.)34 b(P)n(erdew,)j(K.)c(Burk)n(e,)i(and)f(Y.)f(W)-6 b(ang,)36 b(Ph)n(ys.)d(Rev.)g(B)h Fo(54)p Fu(,)-63 100 y(16533)28 b(\(1996\).)-145 159 y Fq(20)-63 191 y Fu(Basis)40 b(sets)e(w)n(ere)h(obtained)f(from)g(the)f(Extensible)h(Computa-)-63 282 y(tional)21 b(Chemistry)e(En)n(vironmen)n(t)f(Basis)j(Set)e (Database,)j(V)-6 b(ersion)-63 374 y(1.0,)25 b(as)e(dev)n(elop)r(ed)g (and)g(distributed)f(b)n(y)g(the)g(Molecular)j(Science)-63 465 y(Computing)18 b(F)-6 b(acilit)n(y)g(,)20 b(En)n(vironmen)n(tal)e (and)g(Molecular)j(Sciences)-63 556 y(Lab)r(oratory)k(whic)n(h)g(is)g (part)f(of)h(the)f(P)n(aci\014c)h(North)n(w)n(est)g(Lab)r(ora-)-63 648 y(tory)-6 b(,)41 b(P)-6 b(.O.)38 b(Bo)n(x)g(999,)k(Ric)n(hland,)f (W)-6 b(ashington)38 b(99352,)43 b(USA,)-63 739 y(and)34 b(funded)g(b)n(y)f(the)h(U.S.)g(Departmen)n(t)f(of)i(Energy)-6 b(.)35 b(The)f(P)n(a-)-63 830 y(ci\014c)c(North)n(w)n(est)f(Lab)r (oratory)i(is)f(a)g(m)n(ulti-program)e(lab)r(oratory)-63 922 y(op)r(erated)k(b)n(y)e(Battelle)j(Memorial)g(Institute)e(for)h (the)g(U.S.)f(De-)-63 1013 y(partmen)n(t)17 b(of)j(Energy)f(under)f (con)n(tract)h(DE-A)n(C06-76RLO)f(1830.)-63 1104 y(Con)n(tact)25 b(Da)n(vid)g(F)-6 b(eller,)26 b(Karen)e(Sc)n(h)n(uc)n(hardt,)g(or)h (Don)g(Jones)g(for)-63 1196 y(further)g(information.)-145 1255 y Fq(21)-63 1287 y Fu(M.)38 b(Caus\022)-38 b(a,)42 b(R.)37 b(Do)n(v)n(esi,)k(and)c(C.)h(Ro)r(etti,)j(Ph)n(ys.)d(Rev.)f(B)h Fo(43)p Fu(,)-63 1378 y(11937)28 b(\(1991\).)-145 1438 y Fq(22)-63 1469 y Fu(M.)18 b(Prencip)r(e,)i(A.)d(Zupan,)i(R.)e(Do)n(v) n(esi,)j(E.)e(Apr\022)-38 b(a,)19 b(and)e(V.R.)g(Saun-)-63 1561 y(ders,)26 b(Ph)n(ys.)g(Rev.)f(B)h Fo(51)p Fu(,)g(3391)h (\(1995\).)-145 1620 y Fq(23)-63 1652 y Fu(W.G.)38 b(Wyc)n(k)n(o\013,)h Fv(Crystal)g(Structur)l(es)p Fu(,)k(2nd)37 b(ed.)g(\(Wiley)-6 b(,)40 b(New)-63 1743 y(Y)-6 b(ork,)25 b(1963\),)i(V)-6 b(ol.)26 b(1.)-145 1803 y Fq(24)-63 1835 y Fu(G.)70 b(Herzb)r(erg,)82 b Fv(Sp)l(e)l(ctr)l(a)70 b(of)e(Diatomic)g(Mole)l(cules)p Fu(,)82 b(\(V)-6 b(an)-63 1926 y(Nostrand-Reinhold,)25 b(Princeton,)i(N.J.,)f(1970\).)-145 1986 y Fq(25)-63 2017 y Fu(A.D.)f(Bec)n(k)n(e,)h(J.)h(Chem.)e(Ph)n(ys.)h Fo(97)p Fu(,)g(9173)h(\(1992\).)-145 2077 y Fq(26)-63 2109 y Fu(E.I.)i(Pro)n(yno)n(v,)g(E.)g(Ruiz,)h(A.)e(V)-6 b(ela,)30 b(and)e(D.R.)g(Salah)n(ub,)i(In)n(t.)e(J.)-63 2200 y(Quan)n(tum)23 b(Chem.)j Fo(S29)p Fu(,)g(61)g(\(1995\).)-145 2260 y Fq(27)-63 2291 y Fu(B.G.)19 b(Johnson,)h(P)-6 b(.M.W.)19 b(Gill,)h(and)e(J.A.)g(P)n(ople,)i(J.)e(Chem.)f(Ph)n(ys.)-63 2383 y Fo(98)p Fu(,)26 b(5612)h(\(1993\).)-145 2442 y Fq(28)-63 2474 y Fu(V.)21 b(Ozolin)l(\024)-34 b(s)22 b(and)e(M.)i(K\177)-38 b(orling,)23 b(Ph)n(ys.)e(Rev.)g(B)g Fo(48)p Fu(,)i(18304)g(\(1993\).)-145 2534 y Fq(29)-63 2565 y Fu(C.)29 b(Filippi,)h(D.J.)f(Singh,)g(and)e(C.)i(Umrigar,)g(Ph)n (ys.)f(Rev.)g(B)h Fo(50)p Fu(,)-63 2657 y(14947)f(\(1994\).)-145 2716 y Fq(30)-63 2748 y Fu(J.C.)22 b(Grossman,)g(L.)f(Mitas,)i(and)d (K.)g(Ragha)n(v)l(ac)n(hari,)i(Ph)n(ys.)f(Rev.)-63 2839 y(Lett.)26 b Fo(75)p Fu(,)g(3870)h(\(1995\);)h Fo(76)p Fu(,)e(1006)h(\(1996\))g(\(E\).)-145 2899 y Fq(31)-63 2931 y Fu(D.R.)e(Hamann,)g(Ph)n(ys.)h(Rev.)f(Lett.)h Fo(76)p Fu(,)g(660)h(\(1996\).)-145 2990 y Fq(32)-63 3022 y Fu(L.)f(F)-6 b(an)25 b(and)h(T.)g(Ziegler,)h(J.)g(Chem.)e(Ph)n (ys.)g Fo(94)p Fu(,)i(6057)g(\(1991\).)-145 3082 y Fq(33)-63 3113 y Fu(D.R.)20 b(Hamann,)g(unpublished;)g(C.)h(Lee,)h(D.)d(V)-6 b(anderbilt,)21 b(K.)f(Laa-)-63 3205 y(sonen,)k(R.)f(Car,)i(and)d(M.)i (P)n(arrinello,)i(Ph)n(ys.)d(Rev.)g(Lett.)g Fo(69)p Fu(,)h(462)-63 3296 y(\(1992\).)-145 3356 y Fq(34)-63 3387 y Fu(F.)j(Sim,)g(A.)g (St-Aman)n(t,)e(I.)i(P)n(apai,)i(and)d(D.R.)h(Salah)n(ub,)h(J.)f(Am.) -63 3479 y(Chem.)e(So)r(c.)h Fo(114)p Fu(,)h(4391)g(\(1992\).)-145 3538 y Fq(35)-63 3570 y Fu(D.C.)19 b(P)n(atton,)h(D.V.)e(P)n(orezag,)k (and)c(M.R.)g(P)n(ederson,)j(Ph)n(ys.)d(Rev.)-63 3661 y(B)26 b(\(to)g(app)r(ear\).)-145 3721 y Fq(36)-63 3753 y Fu(P)-6 b(.)22 b(Bagno,)j(O.)d(Jepsen)h(and)f(O.)g(Gunnarsson,)i(Ph)n (ys.)e(Rev.)g(B)h Fo(40)p Fu(,)-63 3844 y(1997)k(\(1989\).)-145 3904 y Fq(37)-63 3935 y Fu(D.J.)43 b(Singh)f(and)g(J.)h(Ashk)n(enazi,)j (Ph)n(ys.)c(Rev.)g(B)g Fo(46)p Fu(,)47 b(11570)-63 4027 y(\(1992\).)-145 4086 y Fq(38)-63 4118 y Fu(B.D.)19 b(Y)-6 b(u)18 b(and)h(M.)g(Sc)n(he\017er,)h(Ph)n(ys.)f(Rev.)f(Lett.)h Fo(77)p Fu(,)i(1095)g(\(1996\).)-145 4177 y Fq(39)-63 4209 y Fu(B.)h(Hammer,)e(K.W.)i(Jacobsen,)h(and)e(J.K.)h(N\034rsk)n(o)n (v,)g(Ph)n(ys.)f(Rev.)-63 4301 y(Lett.)26 b Fo(70)p Fu(,)g(3971)h (\(1993\).)-145 4360 y Fq(40)-63 4392 y Fu(L.)37 b(F)-6 b(an)36 b(and)g(T.)i(Ziegler,)j(J.)c(Am.)e(Chem.)h(So)r(c.)74 b Fo(114)p Fu(,)40 b(10890)-63 4483 y(\(1992\);)d(L.)32 b(Deng,)i(T.)f(Ziegler,)j(and)31 b(L.)i(F)-6 b(an,)34 b(J.)f(Chem.)e(Ph)n(ys.)-63 4575 y Fo(99)p Fu(,)26 b(3823)h(\(1993\).) -145 4634 y Fq(41)-63 4666 y Fu(D.)e(P)n(orezag)h(and)f(M.R.)g(P)n (ederson,)h(J.)g(Chem.)e(Ph)n(ys.)h Fo(102)p Fu(,)h(9345)-63 4757 y(\(1995\).)-145 4817 y Fq(42)-63 4848 y Fu(B.G.)19 b(Johnson,)i(C.A.)e(Gonzales,)i(P)-6 b(.M.W.)19 b(Gill,)j(and)c(J.A.)g (P)n(ople,)-63 4940 y(Chem.)25 b(Ph)n(ys.)h(Lett.)g Fo(221)p Fu(,)g(100)h(\(1994\).)-145 4999 y Fq(43)-63 5031 y Fu(S.P)-6 b(.)27 b(W)-6 b(alc)n(h,)27 b(R.J.)g(Duc)n(ho)n(vic,)f(C.M.)i (Rohl\014ng,)f(J.)h(Chem.)e(Ph)n(ys)-63 5122 y Fo(90)p Fu(,)g(3230)h(\(1989\).)-145 5182 y Fq(44)-63 5214 y Fu(S.P)-6 b(.)26 b(W)-6 b(alc)n(h,)26 b(J.)g(Chem.)f(Ph)n(ys.)h Fo(93)p Fu(,)g(2384)h(\(1990\).)-145 5273 y Fq(45)-63 5305 y Fu(W.R.)34 b(Sc)n(h)n(ultz)g(and)g(D.J.)h(LeRo)n(y)-6 b(,)36 b(J.)f(Chem.)e(Ph)n(ys.)i Fo(42)p Fu(,)i(3869)2129 -83 y(\(1965\).)2047 -23 y Fq(46)2129 8 y Fu(L.A.)27 b(Curtiss,)h(D.L.)g(Drap)r(c)n(ho,)f(and)g(J.A.)g(P)n(ople,)i(Chem.)d (Ph)n(ys.)2129 100 y(Lett.)g Fo(103)p Fu(,)g(437)h(\(1984\).)2047 159 y Fq(47)2129 191 y Fu(S.F.)20 b(Selgren,)i(P)-6 b(.W.)21 b(McLoughlin,)h(and)e(G.I.)h(Gellene,)i(J.)e(Chem.)2129 282 y(Ph)n(ys.)k Fo(90)p Fu(,)i(1624)g(\(1989\).)2047 342 y Fq(48)2129 374 y Fu(P)-6 b(.J.)26 b(F)-6 b(eib)r(elman)25 b(and)h(J.)g(Harris,)h(Nature)e Fo(372)p Fu(,)i(135)f(\(1994\).)2047 433 y Fq(49)2129 465 y Fu(J.M.)j(Seminario,)f(M.)h(Gro)r(dzic)n(ki,)g (and)f(P)-6 b(.)28 b(P)n(olitzer,)h(in)f Fv(Density)2129 556 y(F)-6 b(unctional)24 b(Metho)l(ds)h(in)e(Chemistry)p Fu(,)h(edited)d(b)n(y)f(J.)i(Labano)n(wski)2129 648 y(and)j(J.)h (Andzelm)f(\(Springer,)g(Berlin,)i(1990\).)2047 707 y Fq(50)2129 739 y Fu(A.)k(Bormann)g(and)h(R.)f(O.)h(Jones,)i(Chem.)d(Ph) n(ys.)h(Lett.)g Fo(252)p Fu(,)i(1)2129 830 y(\(1996\).)2047 890 y Fq(51)2129 922 y Fu(C.)24 b(Ratsc)n(h,)g(A.P)-6 b(.)24 b(Seitsonen,)h(and)e(M.)h(Sc)n(he\017er,)h(Ph)n(ys.)e(Rev.)g(B,) 2129 1013 y(in)i(press.)2047 1072 y Fq(52)2129 1104 y Fu(J.P)-6 b(.)29 b(P)n(erdew,)i(M.)e(Ernzerhof,)h(A.)f(Zupan,)g(and)f (K.)h(Burk)n(e)f(\(un-)2129 1196 y(published\).)2047 1255 y Fq(53)2129 1287 y Fu(M.)e(Ernzerhof,)h(Chem.)e(Ph)n(ys.)h(Lett.) f Fo(263)p Fu(,)i(499)g(\(1996\).)2047 1346 y Fq(54)2129 1378 y Fu(K.)35 b(Burk)n(e,)j(M.)e(Ernzerhof,)j(and)c(J.P)-6 b(.)36 b(P)n(erdew,)j(Chem.)c(Ph)n(ys.)2129 1469 y(Lett.)26 b(\(to)f(b)r(e)h(published\).)2047 1529 y Fq(55)2129 1561 y Fu(J.P)-6 b(.)26 b(P)n(erdew,)h(M.)f(Ernzerhof,)h(and)e(K.)g (Burk)n(e,)h(J.)g(Chem.)f(Ph)n(ys.)2129 1652 y Fo(105)p Fu(,)h(9982)h(\(1996\).)2047 1712 y Fq(56)2129 1743 y Fu(A.D.)e(Bec)n(k)n(e,)h(J.)h(Chem.)e(Ph)n(ys.)g Fo(98)p Fu(,)i(1372)g(\(1993\).)2047 1803 y Fq(57)2129 1835 y Fu(M.)22 b(Ernzerhof,)h(J.)g(P)-6 b(.)21 b(P)n(erdew,)i(and)f(K.)f (Burk)n(e)g(In)n(t.)g(J.)h(Quan)n(tum)2129 1926 y(Chem.)j(\(to)h(b)r(e) f(published\).)2047 1986 y Fq(58)2129 2017 y Fu(J.P)-6 b(.)33 b(P)n(erdew,)i(Ph)n(ys.)d(Rev.)f(Lett.)i Fo(55)p Fu(,)h(1665)g(\(1985\);)j Fo(55)p Fu(,)e(2370)2129 2109 y(\(1985\))27 b(\(E\).)2047 2168 y Fq(59)2129 2200 y Fu(M.)e(Springer,)h(P)-6 b(.S.)25 b(Sv)n(endsen,)f(and)g(U.)h(v)n(on)f (Barth,)i(Ph)n(ys.)f(Rev.)2129 2291 y(B)h Fo(54)p Fu(,)g(17392)i (\(1996\).)2047 2351 y Fq(60)2129 2383 y Fu(Z.)d(Y)-6 b(an,)24 b(J.P)-6 b(.)26 b(P)n(erdew,)f(T.)h(Korhonen)e(and)g(P)-6 b(.)25 b(Ziesc)n(he,)h(submit-)2129 2474 y(ted)f(to)h(Ph)n(ys.)f(Rev.)h (A.)1926 5608 y Fw(10)p eop %%Page: 11 11 11 10 bop -150 -146 2043 4 v -150 -126 V -51 -44 a Fu(System)p 304 -16 4 94 v 156 w Ft(E)409 -76 y Fq(GGA)405 -31 y(xc)569 -44 y Fp(\000)16 b Ft(E)706 -76 y Fq(LSD)702 -31 y(xc)p 842 -16 V 948 -44 a Fp(h)p Ft(r)1013 -36 y Fr(s)1046 -44 y Fp(i)p 1153 -16 V 176 w(hj)p Ft(\020)5 b Fp(ji)p 1463 -16 V 192 w(h)p Ft(s)p Fp(i)p 1774 -16 V 173 w Ft(R)1913 -76 y Fq(LSD)1912 -31 y(xc)p 2084 -16 V 2153 -44 a Ft(R)2212 -76 y Fq(GGA)2211 -31 y(xc)p -150 -13 2043 4 v 41 51 a Fu(H)p 304 78 4 92 v 376 w(-21.7)p 842 78 V 327 w(2.154)p 1153 78 V 137 w(1)q(.000)p 1463 78 V 137 w(1.079)p 1774 78 V 137 w(0)q(.997)p 2084 78 V 137 w(1.007)24 142 y(H)82 150 y Fq(2)p 304 170 V 475 142 a Fu(-29.3)p 842 170 V 327 w(1.617)p 1153 170 V 137 w(0)q(.000)p 1463 170 V 137 w(0.885)p 1774 170 V 137 w(0)q(.994)p 2084 170 V 137 w(1.000)p -150 173 2043 4 v 10 237 a(Li)79 205 y Fq(+)p 304 264 4 92 v 436 237 a Fu(-115)q(.3)p 842 264 V 327 w(0.645)p 1153 264 V 137 w(0)q(.000)p 1463 264 V 137 w(0.895)p 1774 264 V 137 w(0)q(.996)p 2084 264 V 137 w(0.999)35 328 y(Li)p 304 356 V 332 w(-121)q(.6)p 842 356 V 327 w(0.903)p 1153 356 V 137 w(0)q(.241)p 1463 356 V 137 w(0.901)p 1774 356 V 137 w(0)q(.982)p 2084 356 V 137 w(0.992)18 419 y(Li)87 427 y Fq(2)p 304 447 V 436 419 a Fu(-233)q(.8)p 842 447 V 327 w(0.892)p 1153 447 V 137 w(0)q(.000)p 1463 447 V 137 w(0.888)p 1774 447 V 137 w(0)q(.986)p 2084 447 V 137 w(0.996)p -150 450 2043 4 v 41 514 a(N)p 304 541 4 92 v 337 w(-404)q(.6)p 842 541 V 327 w(0.558)p 1153 541 V 137 w(0)q(.343)p 1463 541 V 137 w(0.780)p 1774 541 V 137 w(0)q(.989)p 2084 541 V 137 w(0.999)24 605 y(N)82 613 y Fq(2)p 304 633 V 436 605 a Fu(-772)q(.0)p 842 633 V 327 w(0.542)p 1153 633 V 137 w(0)q(.000)p 1463 633 V 137 w(0.747)p 1774 633 V 137 w(0)q(.992)p 2084 633 V 137 w(1.002)p -150 636 2043 4 v 19 700 a(F)69 668 y Fb(\000)p 304 727 4 92 v 436 700 a Fu(-551)q(.5)p 842 727 V 327 w(0.489)p 1153 727 V 137 w(0)q(.000)p 1463 727 V 137 w(0.711)p 1774 727 V 137 w(0)q(.992)p 2084 727 V 137 w(1.000)-95 791 y(LiF)27 b(\(mol\))p 304 819 V 201 w(-662)q(.3)p 842 819 V 327 w(0.507)p 1153 819 V 137 w(0)q(.000)p 1463 819 V 137 w(0.732)p 1774 819 V 137 w(0)q(.993)p 2084 819 V 137 w(1.000)-71 883 y(Li)-2 851 y Fq(+)49 883 y Fu(+F)159 851 y Fb(\000)p 304 910 V 436 883 a Fu(-666)q(.8)p 842 910 V 327 w(0.510)p 1153 910 V 137 w(0)q(.000)p 1463 910 V 137 w(0.736)p 1774 910 V 137 w(0)q(.993)p 2084 910 V 137 w(1.000)-79 974 y(LiF)g(\(fcc\))p 304 1001 V 218 w(-650)q(.2)p 842 1001 V 327 w(0.504)p 1153 1001 V 137 w(0)q(.000)p 1463 1001 V 137 w(0.723)p 1774 1001 V 137 w(0)q(.993)p 2084 1001 V 137 w(1.000)-89 1065 y(LiF)f(\(b)r(cc\)) p 304 1093 V 207 w(-653)q(.9)p 842 1093 V 327 w(0.504)p 1153 1093 V 137 w(0)q(.000)p 1463 1093 V 137 w(0.723)p 1774 1093 V 137 w(0)q(.993)p 2084 1093 V 137 w(1.000)p -150 1096 2043 4 v 38 1160 a(Si)p 304 1187 4 92 v 296 w(-1022)q(.4)p 842 1187 V 327 w(0.345)p 1153 1187 V 137 w(0)q(.100)p 1463 1187 V 137 w(0.656)p 1774 1187 V 137 w(0)q(.992)p 2084 1187 V 137 w(0.999)-150 1251 y(Si)g(\(diamond\))p 304 1279 V 107 w(-1997)q(.7)p 842 1279 V 327 w(0.341)p 1153 1279 V 137 w(0)q(.000)p 1463 1279 V 137 w(0.641)p 1774 1279 V 137 w(0)q(.993)p 2084 1279 V 137 w(1.000)p -150 1282 2043 4 v 26 1346 a(Ar)p 304 1373 4 92 v 284 w(-1413)q(.1)p 842 1373 V 327 w(0.296)p 1153 1373 V 137 w(0)q(.000)p 1463 1373 V 137 w(0.620)p 1774 1373 V 137 w(0)q(.993)p 2084 1373 V 137 w(0.999)p -150 1393 2043 4 v -150 1413 V -73 1486 a(T)-6 b(ABLE)23 b(I.)39 b(This)20 b(table)h(summarizes)e(the)g(a)n(v)n(erage)i(v)l(alues)f(of)h Fp(h)p Ft(r)1830 1494 y Fr(s)1862 1486 y Fp(i)-150 1577 y Fu(\(in)36 b(b)r(ohrs\),)i Fp(hj)p Ft(\020)5 b Fp(ji)p Fu(,)39 b(and)c Fp(h)p Ft(s)p Fp(i)h Fu(for)g(all)h(the)e(Hartree-F)-6 b(o)r(c)n(k)36 b(densities)-150 1669 y(w)n(e)f(ha)n(v)n(e)e(studied.)60 b(The)35 b(second)f(column)g(represen)n(ts)g(the)g(di\013er-)-150 1760 y(ence)j(b)r(et)n(w)n(een)g(GGA)h(and)e(LSD)h(exc)n (hange-correlation)h(energies)-150 1851 y(\(in)30 b(mH\).)f(The)i Ft(R)398 1859 y Fq(xc)492 1851 y Fu(v)l(alues)g(in)f(the)g(t)n(w)n(o)h (righ)n(t-most)f(columns)g(are)-150 1942 y(close)24 b(to)f(1,)g (satisfying)h(the)f(requiremen)n(ts)e(discussed)i(after)g(Eq.)g(\(7\).) -150 2034 y(F)-6 b(or)32 b(molecules)g(and)f(solids)i(the)f(a)n(v)n (erage)g(v)l(alues)g(w)n(ere)g(calculated)-150 2125 y(at)42 b(the)f(exp)r(erimen)n(tal)f(b)r(ond)h(lengths)h(or)g(lattice)g (constan)n(ts)1747 2093 y Fq(24)p Fr(;)p Fq(23)-150 2216 y Fu(\(H)-62 2224 y Fq(2)-28 2216 y Fu(:0.741)192 2203 y(\027)192 2216 y(A,)24 b(Li)364 2224 y Fq(2)399 2216 y Fu(:2.67)581 2203 y(\027)581 2216 y(A,)g(N)742 2224 y Fq(2)776 2216 y Fu(:1.098)997 2203 y(\027)997 2216 y(A,)g(LiF)g(\(molecule\):1.564)1813 2203 y(\027)1813 2216 y(A,)-150 2308 y(LiF)i(\(fcc\):3.99)330 2295 y(\027)330 2308 y(A,)f(LiF)i(\(b)r(cc\):2.51)936 2295 y(\027)936 2308 y(A,)e(bulk)g(Si:5.43)1461 2295 y(\027)1461 2308 y(A\).)p -150 2562 V -150 2582 V -51 2672 a(System)p 304 2700 4 101 v 609 2636 a Fr(ad)p Fb(h)p Fr(r)729 2644 y Fa(s)761 2636 y Fb(i)p 609 2655 178 4 v 665 2698 a Fr(da)p 839 2700 4 101 v 1139 2636 a(ad)p Fb(hj)p Fr(\020)s Fb(ji)p 1139 2655 186 4 v 1199 2698 a Fr(da)p 1373 2700 4 101 v 1694 2636 a(ad)p Fb(h)p Fr(s)p Fb(i)p 1694 2655 146 4 v 1734 2698 a Fr(da)p -150 2703 2043 4 v 24 2767 a Fu(H)82 2775 y Fq(2)p 304 2794 4 92 v 649 2767 a Fu(0.624)p 839 2794 V 361 w(0)q(.000)p 1373 2794 V 360 w(0)q(.026)24 2858 y(H)82 2866 y Fq(3)p 304 2886 V 649 2858 a Fu(0.680)p 839 2886 V 361 w(0)q(.109)p 1373 2886 V 360 w(0)q(.095)18 2950 y(Li)87 2958 y Fq(2)p 304 2977 V 649 2950 a Fu(0.033)p 839 2977 V 361 w(0)q(.000)p 1373 2977 V 360 w(0)q(.014)p -150 2980 2043 4 v 24 3044 a(N)82 3052 y Fq(2)p 304 3072 4 92 v 649 3044 a Fu(0.067)p 839 3072 V 361 w(0)q(.000)p 1373 3072 V 360 w(0)q(.064)p -150 3075 2043 4 v -95 3139 a(LiF)i(\(mol\))p 304 3166 4 92 v 414 w(0.012)p 839 3166 V 361 w(0)q(.000)p 1373 3166 V 360 w(0)q(.021)-79 3230 y(LiF)g(\(fcc\))p 304 3258 V 431 w(0.031)p 839 3258 V 361 w(0)q(.000)p 1373 3258 V 360 w(0)q(.070)-89 3321 y(LiF)f(\(b)r(cc\))p 304 3349 V 381 w(small)p 839 3349 V 398 w(0)q(.000)p 1373 3349 V 322 w(small)p -150 3352 2043 4 v -150 3416 a(Si)g(\(diamond\))p 304 3444 4 92 v 358 w(0.019)p 839 3444 V 361 w(0)q(.000)p 1373 3444 V 360 w(0)q(.041)p -150 3463 2043 4 v -150 3483 V -73 3552 a(T)-6 b(ABLE)27 b(I)r(I.)46 b(Deriv)l(ativ)n(es)32 b(of)h(the)f(a)n(v)n(erage)h(quan)n(tities)f(with)h(re-)-150 3643 y(sp)r(ect)22 b(to)h(the)f(b)r(ond)g(length,)h(ev)l(aluated)f(at)g (the)g(exp)r(erimen)n(tal)g(b)r(ond)-150 3735 y(length.)1926 5608 y Fw(11)p eop %%Page: 12 12 12 11 bop -150 -146 2043 4 v -150 -126 V -123 -46 a Fu(System)p 161 -18 4 92 v 320 w(P)p 568 -18 V 649 w(Inequalit)n(y)p -150 -15 2043 4 v -48 49 a(H)10 57 y Fq(2)p 161 76 4 92 v 417 49 a Fu(1.23)p 568 76 V 208 w(5.80)p Fp(\001)p Fu(10)992 17 y Fb(\000)p Fq(4)1283 49 y Ft(<)207 b Fu(4.76)27 b Fp(\001)p Fu(10)1809 17 y Fb(\000)p Fq(3)-54 140 y Fu(Li)15 148 y Fq(2)p 161 168 V 417 140 a Fu(1.21)p 568 168 V 208 w(3.18)p Fp(\001)p Fu(10)992 109 y Fb(\000)p Fq(4)1283 140 y Ft(>)207 b Fu(2.45)27 b Fp(\001)p Fu(10)1809 109 y Fb(\000)p Fq(4)-48 232 y Fu(N)10 240 y Fq(2)p 161 259 V 417 232 a Fu(1.16)p 568 259 V 208 w(1.71)p Fp(\001)p Fu(10)992 200 y Fb(\000)p Fq(3)1283 232 y Ft(>)207 b Fu(1.43)27 b Fp(\001)p Fu(10)1809 200 y Fb(\000)p Fq(3)-61 323 y Fu(LiF)p 161 350 V 359 w(1.15)p 568 350 V 208 w(5.19)p Fp(\001)p Fu(10)992 291 y Fb(\000)p Fq(4)1283 323 y Ft(>)207 b Fu(2.39)27 b Fp(\001)p Fu(10)1809 291 y Fb(\000)p Fq(4)p -150 354 2043 4 v -34 418 a Fu(Si)p 161 445 4 92 v 387 w(1.12)p 568 445 V 208 w(1.35)p Fp(\001)p Fu(10)992 386 y Fb(\000)p Fq(3)1283 418 y Ft(>)207 b Fu(6.33)27 b Fp(\001)p Fu(10)1809 386 y Fb(\000)p Fq(4)-150 509 y Fu(LiF)f(\(fcc\))p 161 536 V 271 w(1.15)p 568 536 V 208 w(2.20)p Fp(\001)p Fu(10)992 477 y Fb(\000)p Fq(3)1283 509 y Ft(>)207 b Fu(7.20)27 b Fp(\001)p Fu(10)1809 477 y Fb(\000)p Fq(4)p -150 540 2043 4 v -48 604 a Fu(H)10 612 y Fq(3)p 161 631 4 92 v 417 604 a Fu(1.22)p 568 631 V 208 w(2.17)p Fp(\001)p Fu(10)992 572 y Fb(\000)p Fq(3)1283 604 y Ft(<)207 b Fu(4.62)27 b Fp(\001)p Fu(10)1809 572 y Fb(\000)p Fq(3)p -150 651 2043 4 v -150 671 V -73 743 a Fu(T)-6 b(ABLE)40 b(I)r(I)r(I.)71 b(Quan)n(tities)53 b(from)h(Eq.)f(\(9\))g(for)h (in\014nitesimal)-150 835 y(c)n(hanges)39 b(around)f(the)g(exp)r (erimen)n(tal)g(b)r(ond)g(length.)72 b(The)39 b(small)-150 926 y(c)n(hanges)31 b Ft(d)p Fp(h)p Ft(r)244 934 y Fr(s)277 926 y Fp(i)p Fu(,)h Ft(d)p Fp(hj)p Ft(\020)5 b Fp(ji)p Fu(,)33 b Ft(d)p Fp(h)p Ft(s)p Fp(i)d Fu(w)n(ere)i(calculated)g(b)n(y)e (stretc)n(hing)h(the)-150 1017 y(b)r(ond)21 b(length)h(b)n(y)f Fp(\006)p Fu(1\045.)33 b(The)22 b(inequalit)n(y)f(\(9\))h(is)g (satis\014ed)h(whenev)n(er)-150 1109 y(gradien)n(t)j(corrections)h(fa)n (v)n(or)f(b)r(ond)f(stretc)n(hing.)p -150 1359 V -150 1379 V 31 1460 a(System)p 468 1487 4 92 v 299 w(P)359 b(Q)p 1297 1487 V 479 w(Inequalit)n(y)p -150 1490 2043 4 v 8 1554 a(H)66 1562 y Fq(2)122 1554 y Fp(!)p Fu(2H)p 468 1582 4 92 v 255 w(1)q(.23)253 b(-5.04)p Fp(\001)p Fu(10)1197 1522 y Fb(\000)p Fq(2)p 1297 1582 V 1315 1554 a Fu(1.98)p Fp(\001)p Fu(10)1547 1522 y Fb(\000)p Fq(1)1665 1554 y Ft(>)33 b Fu(1.25)p Fp(\001)p Fu(10)1990 1522 y Fb(\000)p Fq(1)8 1645 y Fu(N)66 1653 y Fq(2)122 1645 y Fp(!)p Fu(2N)p 468 1673 V 255 w(1)q(.16)279 b(1.90)p Fp(\001)p Fu(10)1197 1614 y Fb(\000)p Fq(3)p 1297 1673 V 1315 1645 a Fu(4.32)p Fp(\001)p Fu(10)1547 1614 y Fb(\000)p Fq(2)1665 1645 y Ft(>)33 b Fu(1.76)p Fp(\001)p Fu(10)1990 1614 y Fb(\000)p Fq(2)-3 1737 y Fu(Li)66 1745 y Fq(2)122 1737 y Fp(!)p Fu(2Li)p 468 1764 V 244 w(1)q(.21)253 b(-1.65)p Fp(\001)p Fu(10)1197 1705 y Fb(\000)p Fq(3)p 1297 1764 V 1315 1737 a Fu(1.45)p Fp(\001)p Fu(10)1547 1705 y Fb(\000)p Fq(2)1665 1737 y Ft(>)33 b Fu(7.39)p Fp(\001)p Fu(10)1990 1705 y Fb(\000)p Fq(3)-88 1828 y Fu(LiF)p Fp(!)p Fu(Li)177 1796 y Fq(+)229 1828 y Fu(+F)339 1796 y Fb(\000)p 468 1856 V 550 1828 a Fu(1)q(.15)279 b(0.00)p 1297 1856 V 215 w(6.80)p Fp(\001)p Fu(10)1547 1796 y Fb(\000)p Fq(3)1665 1828 y Ft(>)33 b Fu(3.40)p Fp(\001)p Fu(10)1990 1796 y Fb(\000)p Fq(3)p -150 1859 2043 4 v -22 1925 a Fu(Si)42 1893 y Fq(bulk)184 1925 y Fp(!)p Fu(Si)p 468 1953 4 94 v 225 w(1)q(.12)279 b(1.16)p Fp(\001)p Fu(10)1197 1893 y Fb(\000)p Fq(3)p 1297 1953 V 1315 1925 a Fu(2.47)p Fp(\001)p Fu(10)1547 1893 y Fb(\000)p Fq(2)1665 1925 y Ft(>)33 b Fu(8.27)p Fp(\001)p Fu(10)1990 1893 y Fb(\000)p Fq(3)-150 2019 y Fu(LiF)-31 1987 y Fq(fcc)68 2019 y Fp(!)26 b Fu(Li)240 1987 y Fq(+)291 2019 y Fu(+F)401 1987 y Fb(\000)p 468 2046 V 550 2019 a Fu(1)q(.15)279 b(0.00)p 1297 2046 V 215 w(1.92)p Fp(\001)p Fu(10)1547 1987 y Fb(\000)p Fq(2)1665 2019 y Ft(>)33 b Fu(6.81)p Fp(\001)p Fu(10)1990 1987 y Fb(\000)p Fq(3)p -150 2050 2043 4 v -48 2114 a Fu(H)10 2122 y Fq(3)65 2114 y Fp(!)p Fu(H+H)318 2122 y Fq(2)p 468 2141 4 92 v 550 2114 a Fu(1)q(.22)253 b(-4.09)p Fp(\001)p Fu(10)1197 2082 y Fb(\000)p Fq(2)p 1297 2141 V 1315 2114 a Fu(6.76)p Fp(\001)p Fu(10)1547 2082 y Fb(\000)p Fq(2)1665 2114 y Ft(>)33 b Fu(-1.42)p Fp(\001)p Fu(10)2016 2082 y Fb(\000)p Fq(2)-77 2205 y Fu(HN)39 2213 y Fq(2)94 2205 y Fp(!)p Fu(H+N)347 2213 y Fq(2)p 468 2232 V 550 2205 a Fu(1)q(.16)279 b(1.06)p Fp(\001)p Fu(10)1197 2173 y Fb(\000)p Fq(3)p 1297 2232 V 1315 2205 a Fu(1.20)p Fp(\001)p Fu(10)1547 2173 y Fb(\000)p Fq(2)1665 2205 y Ft(>)33 b Fu(4.11)p Fp(\001)p Fu(10)1990 2173 y Fb(\000)p Fq(3)p -150 2252 2043 4 v -150 2272 V -73 2345 a Fu(T)-6 b(ABLE)26 b(IV.)45 b(Quan)n(tities)31 b(from)f(Eq.)h(\(9\))g(for)h (atomization)g(pro-)-150 2436 y(cesses.)41 b(The)27 b(inequalit)n(y)g (\(9\))h(is)g(satis\014ed)g(whenev)n(er)f(gradien)n(t)g(cor-)-150 2527 y(rections)f(lo)n(w)n(er)h(the)e(atomization)i(energy)-6 b(.)p -150 2778 V -150 2798 V -74 2880 a(System)p 258 2907 4 94 v 133 w Ft(E)363 2848 y Fq(GGA)359 2893 y(xc)522 2880 y Fp(\000)17 b Ft(E)660 2848 y Fq(LSD)656 2893 y(xc)p 796 2907 V 902 2880 a Fp(h)p Ft(r)967 2888 y Fr(s)999 2880 y Fp(i)p 1106 2907 V 176 w(hj)p Ft(\020)5 b Fp(ji)p 1417 2907 V 193 w(h)p Ft(s)p Fp(i)p 1727 2907 V 172 w Ft(R)1866 2848 y Fq(LSD)1865 2893 y(xc)p 2038 2907 V 2107 2880 a Ft(R)2166 2848 y Fq(GGA)2165 2893 y(xc)p -150 2911 2043 4 v -58 2975 a Fu(H+H)118 2983 y Fq(2)p 258 3002 4 92 v 428 2975 a Fu(-49)q(.7)p 796 3002 V 326 w(1)q(.804)p 1106 3002 V 137 w(0.549)p 1417 3002 V 137 w(0)q(.945)p 1727 3002 V 137 w(0.990)p 2038 3002 V 137 w(1)q(.001)0 3066 y(H)58 3074 y Fq(3)p 258 3093 V 428 3066 a Fu(-37)q(.7)p 796 3093 V 326 w(1)q(.773)p 1106 3093 V 137 w(0.393)p 1417 3093 V 137 w(0)q(.870)p 1727 3093 V 137 w(0.994)p 2038 3093 V 137 w(0)q(.999)p -150 3097 2043 4 v -58 3161 a(H+N)118 3169 y Fq(2)p 258 3188 4 92 v 390 3161 a Fu(-795)q(.0)p 796 3188 V 326 w(0)q(.572)p 1106 3188 V 137 w(0.142)p 1417 3188 V 137 w(0)q(.754)p 1727 3188 V 137 w(0.990)p 2038 3188 V 137 w(1)q(.001)-150 3252 y(H+N)26 3260 y Fq(2)85 3252 y Fu(\(TS\))p 258 3279 V 147 w(-781)q(.6)p 796 3279 V 326 w(0)q(.570)p 1106 3279 V 137 w(0.119)p 1417 3279 V 137 w(0)q(.749)p 1727 3279 V 137 w(0.991)p 2038 3279 V 137 w(1)q(.001)-28 3343 y(HN)88 3351 y Fq(2)p 258 3371 V 390 3343 a Fu(-776)q(.0)p 796 3371 V 326 w(0)q(.567)p 1106 3371 V 137 w(0.079)p 1417 3371 V 137 w(0)q(.744)p 1727 3371 V 137 w(0.992)p 2038 3371 V 137 w(1)q(.002)p -150 3391 2043 4 v -150 3411 V -73 3479 a(T)-6 b(ABLE)33 b(V.)57 b(Av)n(erage)41 b(v)l(alues)h(for)g(the)f(reactan)n(ts,)46 b(transition)-150 3570 y(states,)32 b(and)e(pro)r(ducts)g(for)h(the)f(t)n(w)n(o)g(c)n (hemical)g(reactions)h(studied.)-150 3662 y(LSD)23 b(densities)h(w)n (ere)g(used)f(to)h(calculate)h(all)f(results)g(for)h(the)e(H+H)1859 3670 y Fq(2)-150 3753 y Fu(and)39 b(H+N)189 3761 y Fq(2)262 3753 y Fu(reactions,)44 b(including)c(the)f(di\013erence)g(b)r(et)n(w)n (een)h(the)-150 3844 y(GGA)26 b(and)f(LSD)g(exc)n(hange-correlation)i (energies)g(\(in)e(mH\).)1926 5608 y Fw(12)p eop %%Trailer end userdict /end-hook known{end-hook}if %%EOF