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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

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dc.authorscopusid7006814821
dc.authorscopusid22951053300
dc.authorscopusid57212956099
dc.contributor.authorGuseinov, I.I.
dc.contributor.authorMamedov, B.A.
dc.contributor.authorAydin, R.
dc.date.accessioned2020-06-21T15:49:55Z
dc.date.available2020-06-21T15:49:55Z
dc.date.issued2000
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Guseinov] Israfil I., Department of Physics, Çanakkale Onsekiz Mart Üniversitesi, Canakkale, Canakkale, Turkey; [Mamedov] Bahtiyar Akber, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Aydin] Ramazan, Department of Physics, Çanakkale Onsekiz Mart Üniversitesi, Canakkale, Canakkale, Turkeyen_US
dc.description.abstractUsing formulas given by one of the authors [I.I. Guseinov, J. Mol. 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.en_US
dc.identifier.doi10.1016/S0166-1280(99)00285-7
dc.identifier.endpage188en_US
dc.identifier.issn0166-1280
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-0034732971
dc.identifier.startpage179en_US
dc.identifier.urihttps://doi.org/10.1016/S0166-1280(99)00285-7
dc.identifier.volume503en_US
dc.identifier.wosWOS:000087556200005
dc.language.isoenen_US
dc.publisherElsevier Science BVen_US
dc.relation.ispartofJournal of Molecular Structure: THEOCHEMen_US
dc.relation.journalJournal of Molecular Structure-Theochemen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectElectron-Repulsion Integralsen_US
dc.subjectGaussian-Type Orbitalsen_US
dc.subjectOverlap Integralsen_US
dc.subjectSlater-Type Orbitalsen_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
dspace.entity.typePublication

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