Abstract

A Gaussian-based range-separation approach is applied to the Hartree–Fock exchange interaction and the second-order perturbation theory, comparing the results with those provided through the erfc short-range potential approach. The Gaussian short-range potential's behavior resembles more that of the bare 1/r potential than that of the erfc short-range potential around the origin. Thus, the Gaussian-based range-separation of the exchange term agrees better with the ordinary HF method and the Møller–Plesset perturbation theory.

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