Four-center Integral of a Dipolar Two-electron Potential Between s-type GTO's
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.
- Publication:
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arXiv e-prints
- Pub Date:
- October 2014
- DOI:
- 10.48550/arXiv.1410.1885
- arXiv:
- arXiv:1410.1885
- Bibcode:
- 2014arXiv1410.1885M
- Keywords:
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- Physics - Chemical Physics
- E-Print:
- 13 pages. Revtex4-1