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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

✍ Scribed by E. M. Ledovskaya; M. I. Petrashen

Publisher
John Wiley and Sons
Year
1974
Tongue
English
Weight
367 KB
Volume
8
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

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.

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