Author:
Čársky Petr,Reschel Tomáš
Abstract
We present formulas for two-electron free-free exchange integrals and integrals with three Gaussians and one plane-wave function that are required in calculations of electron scattering by polyatomic molecules. The formulas of integrals with p- and d-type Gaussians were obtained by differentiation of the fundamental integrals (sk'|sk) and (ss|sk) that contain s-type Gaussians only and that may be evaluated by means of the Faddeeva function w. Explicit formulas are given for the two types of integrals in the spd Gaussian basis.
Publisher
Institute of Organic Chemistry & Biochemistry
Cited by
6 articles.
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