Expansion of Slater-type orbitals about a displaced center and the evaluation of multicenter electron-repulsion integrals
- 1 May 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 31 (5) , 2851-2853
- https://doi.org/10.1103/physreva.31.2851
Abstract
A simpler version of the formulas given by the author for the expansion of Slater-type orbitals (STO’s) about a point displaced from the orbital center is derived. By utilizing these formulas, extremely compact analytical expressions are established for multicenter electron-repulsion integrals over STO’s. The final results are of a simple structure and are, therefore, especially useful for machine computations.Keywords
This publication has 4 references indexed in Scilit:
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- Analytical evaluation of one- and two-center Coulomb and two-center hybrid integrals for Slater-type orbitalsThe Journal of Chemical Physics, 1977
- Analytical evaluation of electric multipole moment integrals for Slater-type orbitalsJournal of Physics B: Atomic and Molecular Physics, 1977