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Calculation of Nuclear-Attraction and Modified Overlap Integrals Using Gegenbauer Coefficients

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dc.authorscopusid6603855150
dc.authorscopusid23109443800
dc.authorscopusid15837929900
dc.authorscopusid8338092700
dc.contributor.authorÖztekin, E.
dc.contributor.authorÖzcan, S.
dc.contributor.authorOrbay, M.
dc.contributor.authorYavuz, M.
dc.date.accessioned2020-06-21T15:45:24Z
dc.date.available2020-06-21T15:45:24Z
dc.date.issued2002
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Öztekin] E., Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Özcan] Selda, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Orbay] Metin, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Yavuz] Metin, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractGegenbauer coefficients and basic overlapping integrals were used to calculate the modified overlap and nuclear-attraction integrals over Slater-type orbitals (STO) for extremely large quantum numbers. The results were found to be accurate for the principle quantum numbers of Slater functions. The accuracy of the results were also established for arbitary values of internuclear distances and screening constants of atomic orbitals.en_US
dc.identifier.doi10.1002/qua.983
dc.identifier.endpage143en_US
dc.identifier.issn0020-7608
dc.identifier.issue1en_US
dc.identifier.scopus2-s2.0-0037026917
dc.identifier.scopusqualityQ2
dc.identifier.startpage136en_US
dc.identifier.urihttps://doi.org/10.1002/qua.983
dc.identifier.urihttps://hdl.handle.net/20.500.12712/21973
dc.identifier.volume90en_US
dc.identifier.wosWOS:000177860300016
dc.identifier.wosqualityQ2
dc.language.isoenen_US
dc.publisherJohn Wiley & Sons Incen_US
dc.relation.ispartofInternational Journal of Quantum Chemistryen_US
dc.relation.journalInternational Journal of Quantum Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectModified Overlap Integralsen_US
dc.subjectNuclear-Attraction Integralsen_US
dc.subjectOverlap Integralsen_US
dc.subjectSlater-Type Orbitalsen_US
dc.titleCalculation of Nuclear-Attraction and Modified Overlap Integrals Using Gegenbauer Coefficientsen_US
dc.typeArticleen_US
dspace.entity.typePublication

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