EVALUATION OF ONE- AND TWO-ELECTRON MULTICENTER INTEGRALS OF YUKAWA-LIKE SCREENED CENTRAL AND NONCENTRAL INTERACTION POTENTIALS OVER SLATER ORBITALS USING ADDITION THEOREMS

I. I. Guseinov and B. A. Mamedov
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I. I. Guseinov: Department of Physics, Faculty of Arts and Sciences, Onsekiz Mart University, Çanakkale, Turkey
B. A. Mamedov: Department of Physics, Faculty of Arts and Sciences, Gaziosmanpaşa University, Tokat, Turkey

International Journal of Modern Physics C (IJMPC), 2005, vol. 16, issue 06, 837-842

Abstract: By the use of complete orthonormal sets of Ψα-exponential type orbitals (Ψα-ETOs, whereα =1, 0, -1, -2, …), the series expansion formulae are established for the one- and two-electron multicenter integrals of arbitrary Yukawa-like screened central and noncentral interaction potentials (YSCPs and YSNCPs) in terms of two- and three-center overlap integrals of three Slater type orbitals (STOs). The convergence of the series is tested by the concrete cases of parameters. The formulae given in this study for the evaluation of one- and two-electron multicenter integrals of YSCPs and YSNCPs show good rate of convergence and numerical stability.

Keywords: Screened potentials; Slater type orbitals; addition theorems; three-center overlap integrals; 31.15.-p; 31.10.+z (search for similar items in EconPapers)
Date: 2005
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DOI: 10.1142/S0129183105007534

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