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

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.