Calculation of magnetic multipole moment integrals using translation formulas for Slater-type orbitals |
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Authors: | I I Guseinov BA Mamedov T Özdoğan M Orbay |
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Affiliation: | 1. Department of Physics, Faculty of Arts and Sciences, 18 Mart University, ?anakkale, Turkey 2. Department of Physics, Faculty of Education, Ondokuz May?s University, Amasya, Turkey
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Abstract: | Using translation formulas for Slater type orbitals (STO’s) the infinite series through the overlap integrals are derived for the magnetic multipole moment integrals. By the use of the derived expressions the magnetic multipole moment integrals, therefore, the magnetic properties of molecules can be evaluated most efficiently and accurately. The convergence of the series is tested by calculating concrete cases. An accuracy of 10−5 for the computer results is obtained in the case 2 p -pole magnetic moment integrals 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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