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¦¤E(corr,2)=¦¤E(disp,2)+¦¤E(corr,intra,2)    (2)
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¦¤E(scf,r)
=¦¤E(r,del)+¦¤E(ex,1)+¦¤E(el,1)
=¦¤E(r,del)+¦¤E(ex,1)+¦¤E(el,mtp,1)+¦¤E(el,pen,1)    (3)

(3)ʽÖЦ¤E(r,del)¡¢¦¤E(ex,1)ºÍ¦¤E(el,1)·Ö±ð±íʾµç×ÓÀëÓòÏî¡¢Pauliµç×Ó½»»»ÏîºÍµç×ÓÏ໥×÷ÓÃÏî¡£

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¦¤E(mp2)=¦¤E(disp,2)+¦¤E(corr,intra,2)+¦¤E(r,del)+¦¤E(ex,1)+¦¤E(el,mtp,1)+¦¤E(el,pen,1)    (4)

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[ Last edited by cenwanglai on 2011-10-15 at 23:42 ]
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