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On the evaluation of overlap integrals with the same screening parameters of Slater-type orbitals using binomial coefficients

✍ Scribed by I. I. Guseinov; Aslan İli˙k; S. I. Allahverdiyev

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
196 KB
Volume
60
Category
Article
ISSN
0020-7608

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✦ Synopsis

A general formula has been established for the overlap integrals with the same screening parameters of Slater-type orbitals in terms of bionomial coefficients. The final results are especially useful for the calculation of these integrals for large quantum numbers, which occur in the multicenter integrals. 0 1996 John Wiley & Sons, Inc.

displaced center [l] and on the relations for the expansion of one-and two-center electron charge density over STOs in terms of STOs at a new origin [21. Although there is not much difficulty in the calculation of the overlap integrals with the same screening parameters for small quantum numbers, various difficulties arise for large quantum numbers, because factorials with extremely large arguments would be needed for calculation

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