SCF theory for excited states
作者:
R. McWeeny,
期刊:
Molecular Physics
(Taylor Available online 1974)
卷期:
Volume 28,
issue 5
页码: 1273-1282
ISSN:0026-8976
年代: 1974
DOI:10.1080/00268977400102581
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
Equations of Hartree-Fock type are formulated for a many-electron system described by a wave function containing any number of open and closed shells. The solutions define ‘optimal orbitals’ which minimize theaverageenergy of the states of a configuration in which each shell contains a specified number of electrons. Analogues of the Koopmans theorem are constructed.
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