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Computation of molecular integrals over Slater-type orbitals. VII. Calculation of multielectron molecular integrals by single-center expansion method using different translation formulas

✍ Scribed by I.I. Guseinov; B.A. Mamedov; A.M. Rzaeva

Book ID
114141484
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
104 KB
Volume
544
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

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

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