Computation of molecular integrals over Slater-type orbitals.: X.: Calculation of overlap integrals with integer and noninteger n Slater orbitals using complete orthonormal sets of exponential functions

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.contributor.authorSünel, N
dc.date.accessioned2025-01-27T20:27:29Z
dc.date.available2025-01-27T20:27:29Z
dc.date.issued2002
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing two kinds of complete orthonormal sets of exponential-type orbitals, the series expansion formulas are derived for the overlap integrals with noninteger n(*) Slater-type orbitals (NISTOs) in terms of overlap integrals over integer n Slater-type orbitals with the same and different screening constants. The convergence of the series is tested by calculating concrete cases for arbitrary values of noninteger principal quantum numbers and screening constants of NISTOs and internuclear distances. (C) 2002 Elsevier Science B.V. All rights reserved.
dc.identifier.doi10.1016/S0166-1280(02)00074-X
dc.identifier.endpage77
dc.identifier.issn0166-1280
dc.identifier.scopus2-s2.0-0037183832
dc.identifier.scopusqualityN/A
dc.identifier.startpage71
dc.identifier.urihttps://doi.org/10.1016/S0166-1280(02)00074-X
dc.identifier.urihttps://hdl.handle.net/20.500.12428/22703
dc.identifier.volume593
dc.identifier.wosWOS:000178089300009
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Bv
dc.relation.ispartofJournal of Molecular Structure-Theochem
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectnoninteger principal quantum numbers
dc.subjectexponential-type orbitals
dc.subjectSlater-type orbitals
dc.subjectoverlap integrals
dc.titleComputation of molecular integrals over Slater-type orbitals.: X.: Calculation of overlap integrals with integer and noninteger n Slater orbitals using complete orthonormal sets of exponential functions
dc.typeArticle

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