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Symmetry in the Heitler‐London method. I. The connection of the molecular point group with its electron permutation group in the Heitler‐London method
Author(s) -
Ledovskaya E. M.,
Petrashen M. I.
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.560080203
Subject(s) - permutation group , connection (principal bundle) , group (periodic table) , permutation (music) , symmetry (geometry) , physics , wave function , function (biology) , molecular symmetry , multiplication (music) , electron , point (geometry) , quantum mechanics , symmetric group , mathematical physics , mathematics , molecule , combinatorics , geometry , evolutionary biology , acoustics , biology
The connection between the electron coordinates permutation group and the molecular point group is exhibited in the framework of the Heitler‐London method. It is shown that the initial wave function of a molecule in the Heitler‐London method can be written in such a form, that the effect of the point group operations upon this function corresponds to the permutation of the sets of electron coordinates of the ions and the subsequent multiplication of this function by some constants.