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New Analytical Expressions, Symmetry Relations and Numerical Solutions for the Rotational Overlap Integrals

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dc.authorscopusid40461131400
dc.authorscopusid40461390000
dc.authorscopusid55934959600
dc.contributor.authorAkdemir, S.Ö.
dc.contributor.authorEryılmaz, S.D.
dc.contributor.authorÖztekin, E.
dc.date.accessioned2020-06-21T14:27:57Z
dc.date.available2020-06-21T14:27:57Z
dc.date.issued2012
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Akdemir] S. Ö., Department of Physics, Sinop Üniversitesi, Sinop, Turkey; [Eryılmaz] Serpil D., Department of Physics, Amasya Üniversitesi, Amasya, Turkey; [Öztekin] Emin, Department of Physics, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkeyen_US
dc.description.abstractIn this article, extremely simple analytical formulas are obtained for rotational overlap integrals which occur in integrals over two reduced rotation matrix elements. The analytical derivations are based on the properties of the Jacobi polynomials and beta functions. Numerical results and special values for rotational overlap integrals are obtained by using symmetry properties and recurrence relationships for reduced rotation matrix elements. The final results are of surprisingly simple structures and very useful for practical applications. © 2011 Wiley Periodicals, Inc.en_US
dc.identifier.doi10.1002/qua.23158
dc.identifier.endpage1591en_US
dc.identifier.issn0020-7608
dc.identifier.issue6en_US
dc.identifier.scopus2-s2.0-84856708076
dc.identifier.scopusqualityQ2
dc.identifier.startpage1585en_US
dc.identifier.urihttps://doi.org/10.1002/qua.23158
dc.identifier.volume112en_US
dc.identifier.wosWOS:000299781200006
dc.identifier.wosqualityQ2
dc.language.isoenen_US
dc.publisherWiley-Blackwellen_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.subjectJacobi Polynomialsen_US
dc.subjectReduced Rotation Matrix Elementsen_US
dc.subjectRotational Overlap Integralsen_US
dc.titleNew Analytical Expressions, Symmetry Relations and Numerical Solutions for the Rotational Overlap Integralsen_US
dc.typeArticleen_US
dspace.entity.typePublication

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