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On a formula of Braun and Rebane for variational bounds to overlap
Author(s) -
Weinhold F.,
Wang P. S. C.
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.560050207
Subject(s) - excited state , upper and lower bounds , variational method , mathematics , computational chemistry , mathematical physics , statistical physics , theoretical physics , physics , quantum mechanics , chemistry , mathematical analysis
A recent formula of Braun and Rebane for variational bounds to overlap is shown to be closely related to the methods of Rayner and of Weinhold for the same problem, and is extended to give upper and lower bounds to overlap in both ground and excited states.