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Extension of Koopmans’ theorem. I. Derivation

✍ Scribed by Smith, Darwin W.

Book ID
121335749
Publisher
American Institute of Physics
Year
1975
Tongue
English
Weight
286 KB
Volume
62
Category
Article
ISSN
0021-9606

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For a closed-shell MO conr~gurar~on =I& 2n ck~rons v.hlch occupy n non-degsnrraw canomcal MO> 11 I\ dr'duced that the RHF energy X:\_,[Zf/:: +Z;\_,(2J,, -K,,)] may br expressed m Huchel-hhr form as 2X:'\_ ,c, = -r:\_,[f,(x + I)+ I,(h + 2)] wth A = 2(n -I) The I,(h + 1) and 1,(X +2) are the mmzwon po