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A comment on the super‐secular‐equation in a symmetry adapted basis
Author(s) -
Amos A. T.
Publication year - 1971
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.560050609
Subject(s) - basis (linear algebra) , eigenvalues and eigenvectors , symmetry (geometry) , simple (philosophy) , schrödinger equation , mathematical physics , physics , mathematics , classical mechanics , mathematical analysis , quantum mechanics , geometry , philosophy , epistemology
The super‐secular‐equation has been introduced by Löwdin to discuss the Schrödinger equation in terms of a linearly dependent basis. The method is shown to be particularly simple when the basis is a symmetry adapted one. By expanding the secular equation a formula giving a good estimate of the eigenvalue is obtained.