Publication:
Calculations of Overlap Integrals Using Recurrence-Based Algorithms

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dc.authorscopusid6603855150
dc.authorscopusid8338092700
dc.authorscopusid57198185071
dc.contributor.authorÖztekin, E.
dc.contributor.authorYavuz, M.
dc.contributor.authorAtalay, M.
dc.date.accessioned2020-06-21T15:49:10Z
dc.date.available2020-06-21T15:49:10Z
dc.date.issued2001
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Öztekin] E., Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Yavuz] Metin, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Atalay] M., Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractThe aim of this study is to present a new algorithm and analytical formulae for calculation of overlap integrals with the same screening parameters over Slater-type orbitals based on recurrence relations for the basic coefficient G<inf>nlm,n′l′m′</inf>NLM. By using these integrals we have subsequently calculated overlap integrals for the values of principal quantum numbers up to 55 and for arbitrary values of parameters p and t. © 2001 Elsevier Science B.V.en_US
dc.identifier.doi10.1016/S0166-1280(01)00369-4
dc.identifier.endpage77en_US
dc.identifier.issn0166-1280
dc.identifier.scopus2-s2.0-0035796441
dc.identifier.startpage69en_US
dc.identifier.urihttps://doi.org/10.1016/S0166-1280(01)00369-4
dc.identifier.urihttps://hdl.handle.net/20.500.12712/22166
dc.identifier.volume544en_US
dc.identifier.wosWOS:000170092500007
dc.language.isoenen_US
dc.publisherElsevieren_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.subjectOverlap Integralen_US
dc.subjectRecurrence Relationen_US
dc.subjectSlater-Type Orbitalsen_US
dc.titleCalculations of Overlap Integrals Using Recurrence-Based Algorithmsen_US
dc.typeArticleen_US
dspace.entity.typePublication

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