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Application of the saddle‐point variational method to self‐consistent‐field wave functions
Author(s) -
Luken William L.,
Leonard Joseph M.,
Culberson John C.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560240844
Subject(s) - saddle point , wave function , field (mathematics) , point (geometry) , saddle , physics , classical mechanics , statistical physics , mathematics , quantum mechanics , geometry , mathematical optimization , pure mathematics
The unrestricted Hartree–Fock (UHF) self‐consistent‐field (SCF) procedure is shown to be a special case of the saddle‐point variational method for atoms and molecules containing inner‐shell vacancies.
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