Evaluation of multielectron molecular integrals over Slater-type orbitals using binomial coefficients
β Scribed by I.I. Guseinov
- Book ID
- 114142553
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 375 KB
- Volume
- 417
- Category
- Article
- ISSN
- 0166-1280
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π SIMILAR VOLUMES
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 int
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