Four-center Integral of a Dipolar Two-electron Potential Between s-type GTO's
Chemical Physics
2014-10-09 v1
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.
Keywords
Cite
@article{arxiv.1410.1885,
title = {Four-center Integral of a Dipolar Two-electron Potential Between s-type GTO's},
author = {Richard J. Mathar},
journal= {arXiv preprint arXiv:1410.1885},
year = {2014}
}
Comments
13 pages. Revtex4-1