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Ground‐state multiplicity by spin‐extended Hartree–Fock method
Author(s) -
Mestechkin M. M.,
Whyman G. E.
Publication year - 1990
Publication title -
international journal of quantum chemistry
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560380223
Subject(s) - hartree–fock method , multiplicity (mathematics) , ground state , spin (aerodynamics) , sequence (biology) , spin states , atomic physics , chemistry , physics , mathematics , thermodynamics , mathematical analysis , biochemistry
Abstract New possibilities of the spin‐extended Hartree–Fock method in determining the sequence of energy levels are analyzed and demonstrated by the example of some oxygen‐contained compounds.