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

dc.contributor.authorGuseinov, II
dc.contributor.authorMamedov, BA
dc.contributor.authorAydin, R
dc.date.accessioned2020-06-21T15:49:55Z
dc.date.available2020-06-21T15:49:55Z
dc.date.issued2000
dc.identifier.issn0166-1280
dc.identifier.urihttps://doi.org/10.1016/S0166-1280(99)00285-7
dc.identifier.urihttps://hdl.handle.net/20.500.12712/22326
dc.descriptionWOS: 000087556200005en_US
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.en_US
dc.language.isoengen_US
dc.publisherElsevier Science Bven_US
dc.relation.isversionof10.1016/S0166-1280(99)00285-7en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectelectron-repulsion integralsen_US
dc.subjectSlater-type orbitalsen_US
dc.subjectGaussian-type orbitalsen_US
dc.subjectoverlap integralsen_US
dc.titleComputation of molecular integrals over Slater-type orbitals. IV. Calculation of multicenter electron-repulsion integrals using recurrence relations for overlap integralsen_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume503en_US
dc.identifier.issue3en_US
dc.identifier.startpage179en_US
dc.identifier.endpage188en_US
dc.relation.journalJournal of Molecular Structure-Theochemen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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