Calculation of Electric Mult ipole Moment Integrals Using Translation Formulas for Slater-Type Orbitals |
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Authors: | I.I. Guseinov B.A. Mamedov M. Orbay T. zdogan A.M. Rzaeva A.G. Gasanov |
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Affiliation: | 1. Department of Physics, Faculty of Arts and Sciences, 18 Mart University, Canakkale, Turkey;2. Departmenotf Physics, Faculty of Education, Ondokuz Mayzs University, Amasya, Turkey;3. Physica Flaculty, Azerbaijan State University, Baku, Azerbaijan |
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Abstract: | ![]() Using translation formulas for Slater-type orbitals the infinite series through the overlap integrals are derived for the electric multipole moment integrals. By the use of the derived expressions the electric multipole moment integrals, and therefore, the electric properties of molecules can be evaluated most efficiently and accurately. The convergence of the series is tested by calculating concrete cases. An accuracy of for 10-5 the computer results is obtained for 1 ≤ v ≤ 5, and for the arbitrary values of internuclear distances and screening constants of atomic orbitals. |
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Keywords: | multipole moments Slater-type orbitals overlap integrals |
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