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Product of group‐function expansions for correlated wave functions
Author(s) -
Mehler E. L.
Publication year - 1973
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.560070205
Subject(s) - wave function , electron , group (periodic table) , product (mathematics) , function (biology) , correlation function (quantum field theory) , motion (physics) , physics , wave motion , quantum mechanics , mathematics , mathematical analysis , classical mechanics , geometry , mechanics , evolutionary biology , dielectric , biology
A theorem is proved which demonstrates the relationship between a product of group functions describing the correlated motion of a particular group of electrons in an N ‐electron system and a wave function obtained from the exact wave function which describes the correlation of the same group of electrons. By considering such products of group functions as elements in a variational wave function, an expansion for correlated wave functions is suggested, which emphasizes the correlated motion of groups of electrons in the whole system.