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On the evaluation of multielectron molecular integrals over Slater-type orbitals using binomial coefficients

✍ Scribed by I.I. Guseinov

Book ID
113258396
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
275 KB
Volume
336
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

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

On the calculation of arbitrary multiele
On the calculation of arbitrary multielectron molecular integrals over Slater-type orbitals using recurrence relations for overlap integrals. II. Two-center expansion method
✍ I. I. Guseinov; B. A. Mamedov πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 186 KB πŸ‘ 2 views

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

On the calculation of arbitrary multiele
On the calculation of arbitrary multielectron molecular integrals over Slater-type orbitals using recurrence relations for overlap integrals I. Single-center expansion method
✍ I. I. Guseinov; B. A. Mamedov πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 173 KB πŸ‘ 2 views

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