Calculation of three-center electric and magnetic multipole moment integrals using translation formulas for Slater-type orbitals |
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Authors: | I I Guseinov B A Mamedov M Orbay |
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Institution: | Department of Physics, Faculty of Arts and Sciences, Onsekiz Mart University, ?anakkale, Turkey, TR Department of Physics, Faculty of Education, Ondokuz Mayis University, Amasya, Turkey, TR
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Abstract: | By the use of translation formulas for the expansion of Slater-type orbitals (STOs) in terms of STOs at a new origin, three-center
electric and magnetic multipole moment integrals are expressed in terms of two-center multipole moment integrals for the evaluation
of which closed analytical formulas are used. The convergence of the series is tested by calculating concrete cases. Computer
results with an accuracy of 10−7 are obtained for 2ν– pole electric and magnetic multipole moment integrals for 1≤ν≤5 and for arbitrary values of screening constants of atomic
orbitals and internuclear distances.
Received: 28 October 1999 / Accepted: 15 February 2000 / Published online: 5 June 2000 |
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Keywords: | : Multipole moments Slater-type orbitals Overlap integrals |
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