Computation of molecular integrals over Slater-type orbitals. IV. Calculation of multicenter electron-repulsion integrals using recurrence relations for overlap integrals

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.contributor.authorAydin, R
dc.date.accessioned2025-01-27T20:25:06Z
dc.date.available2025-01-27T20:25:06Z
dc.date.issued2000
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing formulas given by one of the authors [I.I. Guseinov, J. Mel. Struct. (Theochem) 417 (1997) 117], the multicenter electron-repulsion integrals with the arbitrary location and screening constants of Slater-type orbitals (STOs) are calculated for extremely large quantum numbers. Accuracy of the results is quite high for quantum numbers n, l and m of STOs. (C) 2000 Elsevier Science B.V. All rights reserved.
dc.identifier.doi10.1016/S0166-1280(99)00285-7
dc.identifier.endpage188
dc.identifier.issn0166-1280
dc.identifier.issue3
dc.identifier.scopus2-s2.0-0034732971
dc.identifier.scopusqualityN/A
dc.identifier.startpage179
dc.identifier.urihttps://doi.org/10.1016/S0166-1280(99)00285-7
dc.identifier.urihttps://hdl.handle.net/20.500.12428/22432
dc.identifier.volume503
dc.identifier.wosWOS:000087556200005
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.subjectelectron-repulsion integrals
dc.subjectSlater-type orbitals
dc.subjectGaussian-type orbitals
dc.subjectoverlap integrals
dc.titleComputation of molecular integrals over Slater-type orbitals. IV. Calculation of multicenter electron-repulsion integrals using recurrence relations for overlap integrals
dc.typeArticle

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