Calculation of arbitrary overlap integrals over type orbitals using basic overlap integrals

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dc.authoridOzdogan, Telhat/0000-0002-0211-770X
dc.authoridOrbay, Metin/0000-0001-5405-2883
dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.contributor.authorOrbay, M
dc.contributor.authorÖzdogan, T
dc.date.accessioned2025-01-27T20:58:16Z
dc.date.available2025-01-27T20:58:16Z
dc.date.issued2000
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractThe recurrence relations are presented for the calculation of basic overlap integrals, by making use of which other overlap integrals are calculated analytically. These recurrence relations are especially useful for the calculation of any overlap integral for large quantum numbers. For the arbitrary values of screening constants of atomic orbitals and internuclear distances an accuracy of the computer results is satisfactory for the values of principal quantum numbers of Slater functions up to 50.
dc.identifier.doi10.1088/0253-6102/33/2/161
dc.identifier.endpage166
dc.identifier.issn0253-6102
dc.identifier.issue2
dc.identifier.scopus2-s2.0-0034411726
dc.identifier.scopusqualityQ1
dc.identifier.startpage161
dc.identifier.urihttps://doi.org/10.1088/0253-6102/33/2/161
dc.identifier.urihttps://hdl.handle.net/20.500.12428/26661
dc.identifier.volume33
dc.identifier.wosWOS:000086601000001
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherHuazhong Univ Sci Tech Press
dc.relation.ispartofCommunications in Theoretical Physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectoverlap integrals
dc.subjectSlater-type orbitals
dc.titleCalculation of arbitrary overlap integrals over type orbitals using basic overlap integrals
dc.typeArticle

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