Four-center Integral of a Dipolar Two-electron Potential Between s-type GTO's

Richard J. Mathar

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arXiv · 1410.1885

Four-center Integral of a Dipolar Two-electron Potential Between s-type GTO's

Richard J. Mathar

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Abstract

We reduce two-electron 4-center products of Cartesian Gaussian Type Orbitals with Boys' contraction to 2-center products of the form psi_alpha(r_i-A) psi_beta(r_j-B), and compute the 6-dimensional integral over d^3r_i d^3r_j over these with the effective potential V_{ij} = (r_i-r_j) . r_j / |r_i-r_j|^3 in terms of Shavitt's confluent hypergeometric functions.

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Richard J. Mathar. 2014-10-07. Four-center Integral of a Dipolar Two-electron Potential Between s-type GTO's. https://arxiv.org/abs/1410.1885

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