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Computation of Molecular Integrals Over Slater-Type Orbitals. III. Calculation of Multicenter Nuclear-Attraction Integrals Using Recurrence Relations for Overlap Integrals

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dc.authorscopusid7006814821
dc.authorscopusid57212956099
dc.authorscopusid22951053300
dc.contributor.authorGuseinov, I.I.
dc.contributor.authorAydin, R.
dc.contributor.authorMamedov, B.A.
dc.date.accessioned2020-06-21T15:49:54Z
dc.date.available2020-06-21T15:49:54Z
dc.date.issued2000
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Guseinov] Israfil I., Department of Physics, Çanakkale Onsekiz Mart Üniversitesi, Canakkale, Canakkale, Turkey; [Aydin] Ramazan, Department of Physics, Çanakkale Onsekiz Mart Üniversitesi, Canakkale, Canakkale, Turkey; [Mamedov] Bahtiyar Akber, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractUsing recurrence relations for basic overlap integrals two- and three- center nuclear-attraction integrals are calculated for extremely large quantum numbers. The accuracy of the results is quite high for the principal quantum numbers of Slater functions and for the arbitrary values of internuclear distances and screening constants of atomic orbitals. (C) 2000 Elsevier Science B.V.en_US
dc.identifier.doi10.1016/S0166-1280(99)00284-5
dc.identifier.endpage177en_US
dc.identifier.issn0166-1280
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-0034733032
dc.identifier.startpage173en_US
dc.identifier.urihttps://doi.org/10.1016/S0166-1280(99)00284-5
dc.identifier.volume503en_US
dc.identifier.wosWOS:000087556200004
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.subjectHartree-Fock-Roothaan Equationsen_US
dc.subjectNuclear-Attraction Integralsen_US
dc.subjectOverlap Integralsen_US
dc.subjectSlater-Type Orbitalsen_US
dc.titleComputation of Molecular Integrals Over Slater-Type Orbitals. III. Calculation of Multicenter Nuclear-Attraction Integrals Using Recurrence Relations for Overlap Integralsen_US
dc.typeArticleen_US
dspace.entity.typePublication

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