Ab_initio calculation

Ab_initio calculation - 5. 11!! 7% fig 3- l Em «a» : Em=...

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Unformatted text preview: 5. 11!! 7% fig 3- l Em «a» : Em= 4.51.1 7+ mm; > + Mam/W / fl/Fl 27/7} /r‘- 77 Vi mi a.) 3m f’fémfifi: = '* 7L0- ‘IF‘I; yum/77 )z/F/jf‘ + gffij-fiéffl] ‘iV-‘24r V ‘ " ‘ ‘ — . “ 2m ’ M//,/+ Vut’U" he”) ZW— 45; Z/// w: slaw—ii 1.1 A ,. fliiflfifl: Wa/ 7*1/e.e+ lQIt/lé. > = mug—’2: 417' 2 + 33-): /¢./F//‘/¢.zrfi/’ + 1717’ If " 1/ >7 ’ _. I 17/7 A" /f‘_ f’/ +Z/ Vat/Fl / €17”sz i 37% (2 2707 21/79 4 _, _ ' d _, 4 7;[fl] + 7/”/;_ 7,] Ill/I + flat (I/ fl/fj/r fxlfl] ’V x - I .. fl/f/e/F}: Amp—2'3— /"" d, //r/r’ //- f/ 9% <1é/ 144 M») = fwd/"1+ LEM Law—1 «42/ r+ 14; M, > — 7:/~/- win/win] Exm= <¢.Z./ 7+ new; > — 7:an ‘Ecw/[fi] EXCw= MSW-m A 14.5 /¢;,,,-..>— 2301- MM"! EXC‘: Ema} ,- Exclo/s 0 mm): Emwu— EmM/_ 4 AA I ' - MAM” — <4a;,,/r+m¢/«a,1.... > + Mod / = A <@LA,,,../14.,/4afjfi,.,,> * a“ 5w + + M" ,,..,/7+ madam > — Mafia/7+1 ‘44 / ‘43:” EM a M , 41M fi-msa flwfi’aulr’mfi; fi 4W”? I i I) u _/ .. __ (r,// __ * -’ _. tum-jda/B- ‘ r 7' - 1— "WW wry 0 17—77 1 17—f’l 1; 317,741.: mFI/mr") + 77W 17,79/ I 2 ._ d-n/ ’ .. e mr/flwlml - ’ 7," - _ tvcl'J-‘jau T—fi—r—Jf‘jr’= fW/[JII o /" I /""/ =/n/,) E I fair)! =26 Him» M M 1m; ’1 317:7)Zkv‘vr‘i9fl 9; r’kz‘, (Iv—I) IN?) = "(Fl/AH /flw (Uh/7’] Fiji/2,, a a, .- -‘ J d, jnMHM/o/ri— ~/ =>/nwr/a/r=—/ 9L.- nurfif’zr-flx/rif/nzc/WQ .A_/ ’72:”: 7/} = Vim/1‘, l7: 7’}: [fie/hr]- minurjj/mi‘j aqm’k WWI/[145,127, 7,, F”) I 43...“, -I IV 3 d, 2 = n17)mr)— [Z (7/ (pm i=1 ‘ Film: 3, a ‘ mar/=41 (pm/(m?! /M/ s o [:1 I é nxm’; «.201: z __, 6 [7,” ___ .26. "31:0 17/4 e‘ ncur r, u "‘H 2 I?~7’/ 51%. 33 mm 914271;, .a 457mm,,- M 5—4! ' 5. Z EKIEP/x (bu! 17am? AfioWI'mwfi'm . 194/: #3 "mm Ma (mammalmimgnéaammm HE. mam th17)=o, Kolad shama’hmwfimfl: gins—Vi e‘f’ (/17:ij [PA 2 _ .L £1.77.“ 2 ' . _ I _._..I x 2 _. _/ r ._.... j__________4’/ Z " IF-frl (Rik/«If 6c (M , 24M? 3% Monte flax/o, (Ce/ml? A A11”, I730) fi‘fifi; Vosko, 9 (V’V/V/ {/79} 5/ I I5 2 14‘1'7'; [I3= I15; 357-1 ’23],V/fl=1+5j*‘, Q=/JC-b‘/Ifil j,=—o./o476’ I 5=a.7z71+4, c=/2./95'52, [4.10. 061/814. DA 494 .. _ éfc [mf/]= 6x [mn]+ 49%,,” _. __ [f m ‘ - léxclw// W H)"- W = 5w: [mu] 4 77’” J" nsnii/ ,._).4 , , ‘ -4.‘ 3-6 53 fa fiKIZ—fi/x (fienernlq‘u/ Emalfwt Aflamxim-fi'M, 65,4 )_, as J _/ Em Agdrfl/rjéflfi, syn / z/JFJFI’E: 2117/21“ (7, r _, /r‘~f’/ aha-mt Exfmo/m AI/WW (65/1), 454 e‘ Inf/n {777 -"" z ‘ E =— a/F/F’-————¥£—'—- 3”“; d a "Fl/710:7“? re 2 / 7._ 7/] 2 1,4“ _/fil Z 6194.... AM __ fix (firm/=7), {EM —- d d " .. d ul - 2 1+ cum/u- erl+ x/mu (u. ann/ + + /;(F, 74/ erl- me/ .. a .A -d n£6£A(,I [46!) = "C {flu/,t -~-.. éizéwéi, uLpAwfi/izzxaifz. [ii], Mia: Havle ,4E A..- , . 13w film/4» nf‘m mi H”?1%'fi§, 544mm: 71,47, fij<o /. fnflr,fi/¢J=-/ I. /nfM/F,i/al5a=0 zg 65A i a; m my, nc (r, m «19% , ffimzm vmr/wafiiyi vfl . W4 L‘FLMfih nmeMn nfbflrj/ 112; y’SgiLa‘iéW. 1/3133 gag/Z mme aim“; % ifii. 2/412” #4? . 4&0! P14 "943-13411; a}; ikfl-fx‘i La , ififié fififim uT.=b»/~T%fi1%+mm, / nfaAmJ/Mgo Ifilsui‘d eff1n,1;n/n%zia‘7s fit, A «14:. my éérA {2%3m2zza‘swrfiw71nm, LpAaM‘w/z fifwwalaa (:L/g3‘Pl’1'4-Vf MA on LVA Maia/swam: M”, Mai/W444: Mia WM . MM, éém‘hfnfiflwvrvfifimLo/uw, Wig, _., r =———- M e’ I _9___;_'__ w e111 1min ‘- Z / l7"/ ZNW/I—U‘ $1.. I k ‘ [fl/17“}: 1—K -—-—~ ‘v‘ + .u ‘z/v rm’ er ‘F/LML/Efij/‘Z/ / W155) ...
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This note was uploaded on 06/10/2011 for the course PHYSICS 104 taught by Professor Professorfeng during the Spring '11 term at Peking Uni..

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Ab_initio calculation - 5. 11!! 7% fig 3- l Em «a» : Em=...

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