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Electronic correlation studies. III. Self‐correlated field method. Application to 2 S ground state and 2 P excited state of three‐electron atomic systems
Author(s) -
Lissillour R.,
Guerillot C. R.
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.560090405
Subject(s) - wave function , excited state , electronic correlation , atomic physics , coulomb , ground state , electron , field (mathematics) , physics , chemistry , correlation function (quantum field theory) , quantum mechanics , mathematics , dielectric , pure mathematics
The self‐correlated field method is based on the insertion in the group product wave function of pair functions built upon a set of correlated “local” functions and of “nonlocal” functions. This work is an application to three‐electron systems. The effects of the outer electron on the inner pair are studied. The total electronic energy and some intermediary results such as pair energies, Coulomb and exchange “correlated” integrals, are given. The results are always better than those given by conventional SCF computations and reach the same level of accuracy as those given by more laborious methods used in correlation studies.