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Electronic correlation studies. II. Self‐correlated field method. Application to ground state and first 1 P , 3 P excited states of two‐electron atomic systems
Author(s) -
Guerillot C. R.,
Lissillour R.
Publication year - 1974
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.560080602
Subject(s) - excited state , antisymmetric relation , electronic correlation , atomic physics , ground state , correlation function (quantum field theory) , field (mathematics) , electron , function (biology) , chemistry , physics , quantum mechanics , mathematics , mathematical physics , evolutionary biology , dielectric , pure mathematics , biology
An antisymmetric pair function can be built upon two kinds of monoelectronic functions, the former ones being correlated local functions and the second ones nonlocal functions taking external effects into account. This function, brought into the generalised product function procedure by means of the density matrix formulation, makes possible the study of correlation within N ‐electronic systems. The results of a first application of this method to the fundamental and to 1 P and 3 P excited states of two‐electron systems are given.