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Eigenspace manipulation in SCF theory: General formalism
Author(s) -
Carbóa Ramóan
Publication year - 1974
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.560080308
Subject(s) - formalism (music) , eigenvalues and eigenvectors , physics , mathematical physics , mathematics , classical mechanics , statistical physics , theoretical physics , quantum mechanics , art , musical , visual arts
A general formalism in order to deal with SCF eigenspace manipulation is developed. It can be shown that the initial generalized secular equation splits into a set of secular equations, each of which in turn can modify independently any predetermined subset of the SCF manifold.