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Evaluation of expansion coefficients for translation of Slater-type orbitals using complete orthonormal sets of exponential-type functions

✍ Scribed by I. I. Guseinov

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
128 KB
Volume
81
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

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✍ I. I. Guseinov; Aslan Δ°liΛ™k; S. I. Allahverdiyev πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 196 KB πŸ‘ 2 views

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

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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

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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