Unified analytical treatment of one- and two-electron multicenter integrals with Slater-type orbitals
- 1 April 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 37 (7) , 2314-2317
- https://doi.org/10.1103/physreva.37.2314
Abstract
With the use of formulas given by the author for the expansion of Slater-type orbitals (STO’s) in terms of STO’s at a new origin [I.I. Guseinov, Phys. Rev. A 31, 2851 (1985)], one- and two-electron multicenter integrals of (θ,cphi) for q=R and (θ,cphi) for q=C are expressed in terms of the overlap integrals. The analytical formulas used for the evaluation of these integrals have recently been established by the author [I.I. Guseinov, J. Mol. Sci. (China), 5 (2) (1987)]. The relationships obtained are valid for general values of the STO parameters and for μ≥-(ν+1) and κ≥0.
Keywords
This publication has 3 references indexed in Scilit:
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- Expansion of Slater-type orbitals about a displaced center and the evaluation of multicenter electron-repulsion integralsPhysical Review A, 1985
- Analytical evaluation of two-centre Coulomb, hybrid and one-electron integrals for Slater-type orbitalsJournal of Physics B: Atomic and Molecular Physics, 1970