Analytic LΓΆwdin alpha-function method fo
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Herbert W. Jones
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Article
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1991
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John Wiley and Sons
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English
β 410 KB
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