Computation of molecular integrals over Slater type orbitals. II. Calculation of electric multipole moment integrals using translation formulas

Guseinov, I.I.; Rzaeva, A.M.; Mamedov, B.A.; Orbay, METİN; Özdogan, T.; Öner, F.

doi:10.1016/s0166-1280(98)00130-4

Computation of molecular integrals over Slater type orbitals. II. Calculation of electric multipole moment integrals using translation formulas

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Guseinov I., Rzaeva A., Mamedov B., Orbay M., Özdogan T., Öner F.

Journal of Molecular Structure: THEOCHEM, vol.465, no.1, pp.7-9, 1999 (SCI-Expanded)

Publication Type: Article / Article
Volume: 465 Issue: 1
Publication Date: 1999
Doi Number: 10.1016/s0166-1280(98)00130-4
Journal Name: Journal of Molecular Structure: THEOCHEM
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.7-9
Keywords: Electric moments, Molecular integrals, Slater type orbitals
Ankara Haci Bayram Veli University Affiliated: No

Abstract

Analytical expressions through the overlap integrals are derived for the electric multipole moment integrals over Slater type orbitals. These formulas can be used for the calculation of the 2(ν)-pole electric moments of a molecule in the Hartree-Fock-Roothaan approximation.