ON PERTURBATION EXPANSIONS OF THE EXTENDED KOOPMANS THEOREM

Citation
J. Olsen et D. Sundholm, ON PERTURBATION EXPANSIONS OF THE EXTENDED KOOPMANS THEOREM, Chemical physics letters, 288(2-4), 1998, pp. 282-288
Citations number
15
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
288
Issue
2-4
Year of publication
1998
Pages
282 - 288
Database
ISI
SICI code
0009-2614(1998)288:2-4<282:OPEOTE>2.0.ZU;2-R
Abstract
Ionization potentials obtained as energy differences and using the ext ended Koopmans' theorem expression, respectively, have been calculated by analytic perturbation theory through 12-th order. A comparison of the expansions shows that the extended Koopmans' theorem for the lowes t ionization potential is exact for each order in the perturbation exp ansion. (C) 1998 Elsevier Science B.V. All rights reserved.