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Validity of the Extended Koopmans’ Theorem

✍ Scribed by Ernzerhof, Matthias


Book ID
120313175
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
81 KB
Volume
5
Category
Article
ISSN
1549-9618

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📜 SIMILAR VOLUMES


Extended Koopmans' theorem and sudden io
✍ Barry T. Pickup 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 449 KB

Thhe ex.tendcd'Koopmans' theorem eiSenvalues of a correlnted ground state are shown to represent the ccntroids of groups of ionization processes in the sudden limit. Lowest order rehxstion effects are nbscnt.

Extended Koopmans' theorem: Approximate
✍ Robert C. Morrison; Guanghua Liu 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 667 KB

## Abstract The extended Koopmans' theorem has been implemented using multiconfigurational self‐consistent field wave functions calculated with the GAMESS, HONDO, and SIRIUS programs. The results of illustrative calculations are presented for the molecules HF, H~2~O, NH~3~, CH~4~, N~2~, CO, HNC, HC