Spherically Symmetrical Properties of Two-Center Overlap Integrals Over Arbitrary Atomic Orbitals and Translation Coefficients for Slater-Type Orbitals

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dc.contributor.authorGuseinov, I. I.
dc.date.accessioned2020-03-26T16:24:37Z
dc.date.available2020-03-26T16:24:37Z
dc.date.issued1995
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractThe orthogonality relations are derived for the rotation coefficients of two-center overlap integrals over arbitrary atomic orbitals (AAOs) and expansion coefficients for translation of Slater-type orbitals (STOs). Using these formulas, a very interesting theorem regarding the angular dependence is established. If we add the products of all the overlap integrals or all the translation coefficients with the same n and l values, but different m values, the result is independent of orientation. The final results are of a simple structure and are, therefore, especially useful for machine computations of multielectron multicenter molecular integrals by expanding one- and two-center electron charge density over STOs in terms of STOs about a new center. © 1995.en_US
dc.identifier.citationGuseinov, I. I., (1995). Spherically Symmetrical Properties of Two-Center Overlap Integrals Over Arbitrary Atomic Orbitals and Translation Coefficients for Slater-Type Orbitals. Journal of Molecular Structure: Theochem, 343(C), 173-176.
dc.identifier.doi10.1016/0166-1280(95)90551-0en_US
dc.identifier.endpage176en_US
dc.identifier.issn0166-1280en_US
dc.identifier.issueCen_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.startpage173en_US
dc.identifier.urihttps://dx.doi.org/10.1016/0166-1280(95)90551-0
dc.identifier.urihttps://hdl.handle.net/20.500.12395/16327
dc.identifier.volume343en_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorGuseinov, I. I.
dc.language.isoenen_US
dc.relation.ispartofJournal of Molecular Structure: Theochemen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.titleSpherically Symmetrical Properties of Two-Center Overlap Integrals Over Arbitrary Atomic Orbitals and Translation Coefficients for Slater-Type Orbitalsen_US
dc.typeArticleen_US

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