Computation of molecular integrals over Slater-type orbitals.: VIII.: Calculation of overlap integrals with different screening parameters using series expansion formulas for Slater-type orbitals

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.contributor.authorÖner, F
dc.contributor.authorHüseyin, S
dc.date.accessioned2025-01-27T20:54:23Z
dc.date.available2025-01-27T20:54:23Z
dc.date.issued2001
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing expansion formulas for the Slater-type orbitals (STOs) obtained by the one of authors [Phys. Rev. A 31 (1985) 2851] the two-center overlap integrals with different screening parameters are expressed through the overlap integrals with the same screening parameter. The series representation of overlap integrals obtained in this paper is useful for small differences of the exponential parameters. For large differences of the exponential parameters the convergence of the infinite series becomes rather slow. (C) 2001 Elsevier Science B.V. All rights reserved.
dc.identifier.doi10.1016/S0166-1280(01)00410-9
dc.identifier.endpage270
dc.identifier.issn0166-1280
dc.identifier.scopus2-s2.0-0035832729
dc.identifier.scopusqualityN/A
dc.identifier.startpage265
dc.identifier.urihttps://doi.org/10.1016/S0166-1280(01)00410-9
dc.identifier.urihttps://hdl.handle.net/20.500.12428/26060
dc.identifier.volume545
dc.identifier.wosWOS:000170092600026
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.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectoverlap integrals
dc.subjectSlater-type orbitals
dc.titleComputation of molecular integrals over Slater-type orbitals.: VIII.: Calculation of overlap integrals with different screening parameters using series expansion formulas for Slater-type orbitals
dc.typeArticle

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