Analytic Löwdin alpha-function method for two-center electron-repulsion integrals over slater-type orbitals

Using the Löwdin alpha‐function method in which displaced orbitals are expanded in spherical harmonics, two‐center, two‐electron repulsion integrals of the Coulomb, hybrid, and exchange type are done analytically using Slater‐type orbitals. Computer algebra and integer arithmetic are used to obtain...

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Veröffentlicht in:	Journal of computational chemistry 1991-12, Vol.12 (10), p.1217-1222
1. Verfasser:	Jones, Herbert W.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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