Integral transforms are used to evaluate many-center two-electron repulsion integrals involving Slater s-type functions. The reduction of a general four-center integral of this type to a form convenient for computational purposes is presented. The technique described has the important advantage that all lesser many-center and one-center integrals can be obtained from the four-center case by proper choice of constants. The form of the result is such that simple single-precision numerical techniques yield rapid and accurate evaluations of many-center integrals. Several numerical examples are presented.
R. A. Bonham et al., "On the Calculation of Multicenter Two-Electron Repulsion Integrals Involving Slater Functions," Journal of Chemical Physics, vol. 40, no. 10, pp. 3083-3086, American Institute of Physics (AIP), May 1964.
The definitive version is available at https://doi.org/10.1063/1.1724953
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© 1964 American Institute of Physics (AIP), All rights reserved.
01 May 1964