Croatica Chemica Acta, Vol. 60 No. 2, 1987.
Original scientific paper
Calculation of Overlap Integrals over Slater Orbitals with Nearly Equal Exponents
M. Grodzicki
; I. Institut fur Theoretische Physik Jungiusstr. 9, D-2000 Hamburg 36, West Germany
Abstract
A series expansion is derived for overlap integrals between Slater type orbitals with nearly equal screening constants and simple analytical expressions are obtained if both of them are equal. Unlike the known standard methods no numerical instabilities arise and also no restrictions exist with respect to the quantum numbers n, 1 and m of the orbitals.
Keywords
Hrčak ID:
176353
URI
Publication date:
25.6.1987.
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