✦ LIBER ✦

Gaussian expansions of orbital products for the evaluation of two-electron integrals

✍ Scribed by P.D. Dacre; M. Elder

Publisher: Elsevier Science
Year: 1971
Tongue: English
Weight: 299 KB
Volume: 8
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(71)80110-0

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✦ Synopsis

A method is described for evaluating multicenter integrals over contrscted gaussim-trye orbit& by

Use of gaussian expansion Of orbital products. The expansions are determined by the method of nonlinear least swares with constraints. There ia no restriction tipon the symmetry of the orbital product and the method is applicable to all products arising from s , p and d-type orbit&.

Results are given to indicate the accuracy of the method.

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