Expansion of Slater-type orbitals about a new origin and analytical evaluation of multicenter electron-repulsion integrals
- 1 August 1980
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 22 (2) , 369-371
- https://doi.org/10.1103/physreva.22.369
Abstract
A general version of the formulas given by the author for the expansion of Slater-type orbitals (STO) in terms of STO's at a new origin is derived. By the use of these formulas multicenter electron-repulsion integrals are evaluated analytically. The final results are expressed in terms of both the overlap integrals and the usual and functions.
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
- Gaussian-Transform Method for Molecular Integrals. I. Formulation for Energy IntegralsThe Journal of Chemical Physics, 1965