Using expansion formulas for the charge-density over Slater-type orbitals (STOs) obtained by the one of authors [I. I. Guseinov, J Mol Struct (Theochem) 1997, 417, 117] the multicenter molecular integrals with an arbitrary multielectron operator are expressed in terms of the overlap integrals with t
Expansion of a function about a displaced center for multicenter integrals: A general and closed expression for the coefficients in the expansion of a Slater orbital and for overlap integrals
β Scribed by Sharma, R. R.
- Book ID
- 120994153
- Publisher
- The American Physical Society
- Year
- 1976
- Tongue
- English
- Weight
- 627 KB
- Volume
- 13
- Category
- Article
- ISSN
- 1050-2947
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π SIMILAR VOLUMES
The multicenter charge-density expansion coefficients [I. I. Guseinov, J Mol Struct (Theochem) 417, 117 (1997)] appearing in the molecular integrals with an arbitrary multielectron operator were calculated for extremely large quantum numbers of Slater-type orbitals (STOs). As an example, using compu
In this work we consider the eigenfunction V , t satisfying a condition at Ε½ . infinity of a singular second order differential operator on 0, qΟ± . We give an < < asymptotic expansion of this solution with respect to the variable as Βͺ qΟ±, which permits us to establish a generalized Schlafli integral