Calculation of two-center nuclear attraction integral over Slater type orbital in molecular coordinate system using Lowdin alpha-radial function and Guseinov one-center charge density expansion formulae
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The application of the Lowdin alpha-radial function and Guseinov one-center charge density expansion formulas in the accurate evaluation of two center nuclear attraction integrals over Slater type orbitals (STOs) is considered. Extensive numerical tests and comparisons with some already existing methods show that this approach for the calculation of two-center nuclear attraction integrals is more efficient and competitive. The convoluation process is time consuming with minimal computational effort for arbitrary principal quantum numbers, screening constant and location of STOs.