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Computation of molecular integrals over Slater-type orbitals. III. Calculation of multicenter nuclear-attraction integrals using recurrence relations for overlap integrals

dc.contributor.authorGuseinov, II
dc.contributor.authorAydin, R
dc.contributor.authorMamedov, BA
dc.date.accessioned2020-06-21T15:49:54Z
dc.date.available2020-06-21T15:49:54Z
dc.date.issued2000
dc.identifier.issn0166-1280
dc.identifier.urihttps://doi.org/10.1016/S0166-1280(99)00284-5
dc.identifier.urihttps://hdl.handle.net/20.500.12712/22325
dc.descriptionWOS: 000087556200004en_US
dc.description.abstractUsing recurrence relations for basic overlap integrals two- and three-center nuclear-attraction integrals are calculated for extremely large quantum numbers. The accuracy of the results is quite high for the principal quantum numbers of Slater functions and for the arbitrary values of internuclear distances and screening constants of atomic orbitals. (C) 2000 Elsevier Science B.V, All rights reserved.en_US
dc.language.isoengen_US
dc.publisherElsevier Science Bven_US
dc.relation.isversionof10.1016/S0166-1280(99)00284-5en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectnuclear-attraction integralsen_US
dc.subjectoverlap integralsen_US
dc.subjectSlater-type orbitalsen_US
dc.subjectHartree-Fock-Roothaan equationsen_US
dc.titleComputation of molecular integrals over Slater-type orbitals. III. Calculation of multicenter nuclear-attraction integrals using recurrence relations for overlap integralsen_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume503en_US
dc.identifier.issue3en_US
dc.identifier.startpage173en_US
dc.identifier.endpage177en_US
dc.relation.journalJournal of Molecular Structure-Theochemen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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