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A variational principle for transition and density matrices and approximations to the equations‐of‐motion
Author(s) -
Dmitriev Yuri,
Roos Björn
Publication year - 1975
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.560090507
Subject(s) - variational principle , eigenvalues and eigenvectors , equations of motion , motion (physics) , variational integrator , extension (predicate logic) , mathematics , variational method , hamilton's principle , classical mechanics , mathematical physics , physics , mathematical analysis , quantum mechanics , computer science , voltage , integrator , programming language
A general variational principle for transition and density matrices is proposed. The principle is closely related to Rowe's variational treatment of the equations‐of‐motion method. It permits the simultaneous construction of coupled approximations for two eigenstates, and it is a straightforward extension of the usual variational method.