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Recurrence Relations for Radial Parts of Stos and Evaluation of Overlap Integrals via the Fourier Transform Methods

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dc.authorscopusid55935134200
dc.authorscopusid55934959600
dc.contributor.authorÖzay, S.
dc.contributor.authorÖztekin, E.
dc.date.accessioned2020-06-21T14:16:33Z
dc.date.available2020-06-21T14:16:33Z
dc.date.issued2013
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Özay] S., Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Öztekin] Emin, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractIn this paper, new analytical and numerical methods to evaluate overlap integrals of Slater type orbitals (STOs) with the same and different screening parameters and the recurrence relations for STO radial parts via the Fourier transform methods are presented. Our analytical method on the evaluation for radial parts of the STOs was based on the general recurrence relations of Gegenbauer polynomials. We analyzed the properties of STOs with respect to the Fourier transformation which is one of the most important methods for the evaluation of the two-center overlap integrals. © 2013 Elsevier Inc.en_US
dc.identifier.doi10.1016/B978-0-12-411544-6.00010-8
dc.identifier.endpage265en_US
dc.identifier.isbn9780443185946
dc.identifier.isbn9780123747808
dc.identifier.isbn9780123739261
dc.identifier.isbn9780443186639
dc.identifier.isbn0120348381
dc.identifier.isbn9780128238776
dc.identifier.isbn9780120348442
dc.identifier.isbn9780120348435
dc.identifier.isbn9780443186653
dc.identifier.isbn9780120348398
dc.identifier.issn0065-3276
dc.identifier.scopus2-s2.0-84888075014
dc.identifier.scopusqualityQ4
dc.identifier.startpage245en_US
dc.identifier.urihttps://doi.org/10.1016/B978-0-12-411544-6.00010-8
dc.identifier.volume67en_US
dc.identifier.wosWOS:000328999500011
dc.language.isoenen_US
dc.publisherAcademic Press Inc. apjcs@harcourt.comen_US
dc.relation.ispartofAdvances in Quantum Chemistryen_US
dc.relation.ispartofseriesAdvances in Quantum Chemistry
dc.relation.journalProceedings of Mest 2012: Exponential Type Orbitals For Molecular Electronic Structure Theoryen_US
dc.relation.publicationcategoryKitap Bölümü - Uluslararasıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectOverlap Integralsen_US
dc.subjectRecurrence Relations for FTSTOsen_US
dc.titleRecurrence Relations for Radial Parts of Stos and Evaluation of Overlap Integrals via the Fourier Transform Methodsen_US
dc.typeBook Parten_US
dspace.entity.typePublication

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