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Eigenspace manipulation in SCF theory
Author(s) -
Arnau Catalina,
Carbó Ramón,
Huzinaga Sigeru
Publication year - 1972
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.560060504
Subject(s) - eigenvalues and eigenvectors , computer science , mathematics , physics , quantum mechanics
The procedure proposed by Silverstone and others to modify virtual levels in SCF theory is extended as a technique to be used in any type of generalized secular equations. Some useful results are obtained.