Computation of multicenter overlap integrals with Slater-type orbitals using ??-ETOs

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorAydin, R
dc.contributor.authorMamedov, B
dc.date.accessioned2025-01-27T20:14:44Z
dc.date.available2025-01-27T20:14:44Z
dc.date.issued2003
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractMulticenter overlap integrals appearing in the evaluation of multicenter-multielectron integrals of central and noncentral interaction potentials are calculated using complete orthonormal sets of Psi(alpha)-ETOs (alpha=1, 0, -1, -2, ...). The final results are expressed in terms of two-center overlap integrals between STOs. The convergence of the series is tested by calculating concrete cases for arbitrary quantum numbers, screening constants and location of STOs.
dc.identifier.doi10.1007/s00894-003-0151-z
dc.identifier.endpage328
dc.identifier.issn1610-2940
dc.identifier.issn0948-5023
dc.identifier.issue5
dc.identifier.pmid14517610
dc.identifier.scopus2-s2.0-0346670225
dc.identifier.scopusqualityQ2
dc.identifier.startpage325
dc.identifier.urihttps://doi.org/10.1007/s00894-003-0151-z
dc.identifier.urihttps://hdl.handle.net/20.500.12428/21185
dc.identifier.volume9
dc.identifier.wosWOS:000185671500008
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofJournal of Molecular Modeling
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectSlater-type orbitals
dc.subjectmulticenter overlap integrals
dc.subjectcentral and noncentral potentials
dc.subjectmulticenter-multielectron integrals
dc.titleComputation of multicenter overlap integrals with Slater-type orbitals using ??-ETOs
dc.typeArticle

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