Calculation of Two-center Nuclear Attraction Integrals over Slater Type Orbitals in Molecular Coordinate System
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摘要:
A closed analytical relation is derived for the two-center nuclear attraction integrals over Slater type orbitals (STOs) in terms of binomial coefficients. This formula can be used in highly accurate calculations of the nuclear attraction integrals. The relationships obtained are valid for arbitrary values of quantum numbers and screening constants of STOs and location of nuclei.