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Application of perturbation theory to the limitation of the extent of the configuration interaction

✍ Scribed by F. Fratev; G. Hiebaum; A. Gochev

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
313 KB
Volume
16
Category
Article
ISSN
0009-2614

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✦ Synopsis

A method for the limitation of the extent of the configuration interaction is described, giving results which are practically equal to those obtained by taking into account all contigurations. This approach provides the principal possibility for the most csnct calculation through configuration interaction of the correlation corrections of the eneraa and the electron structure of the lowest exited states of the Inger (more than 20 atoms) molecules. Such 3 possibility is of great importance in the interpretation of the photochemical propertics of compounds.

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