ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560080203