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A limited expansion method for electron repulsion integrals

✍ Scribed by F.P. Billingsley II; J.E. Bloor

Publisher: Elsevier Science
Year: 1969
Tongue: English
Weight: 350 KB
Volume: 4
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(69)85032-3

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Using the Lowdin 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