On the validity of the extended Koopmans' theorem

Citation
K. Pernal et J. Cioslowski, On the validity of the extended Koopmans' theorem, J CHEM PHYS, 114(10), 2001, pp. 4359-4361
Citations number
15
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
10
Year of publication
2001
Pages
4359 - 4361
Database
ISI
SICI code
0021-9606(20010308)114:10<4359:OTVOTE>2.0.ZU;2-W
Abstract
A theorem that provides a sufficient condition for the validity of the exte nded Koopmans' theorem (EKT) is formulated and proven. Although its verific ation may be difficult in practice, this condition involves only quantities pertaining to the N-particle system. A less restrictive necessary conditio n remains unknown. (C) 2001 American Institute of Physics.