Evaluation of two-center electric field gradient integrals over STOs using elliptical coordinates

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dc.contributor.authorAkin, E.
dc.date.accessioned2020-03-26T17:26:52Z
dc.date.available2020-03-26T17:26:52Z
dc.date.issued2008
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractIn this study, analytical expressions are obtained for two different types of two-center EFG integrals and the integrals are calculated using these expressions. Analytical expressions for the integrals are given in terms of auxiliary J and K functions defined by Ozmen et al. [Int. J. Quantum Chem. 91, 13 (2003)] for the evaluation of two-center Coulomb integrals using elliptical coordinates. Results are compared and found to be in good agreement for small quantum numbers with the existing results from the literature. Numerical stability of the proposed method is very good and therefore we also present results for higher quantum numbers, however there is no previous results found in the literature to compare.en_US
dc.description.sponsorshipBAP Office of Selcuk UniversitySelcuk Universityen_US
dc.description.sponsorshipThe author would like to thank Dr. Ulfet Atav and Dr. Ayhan Ozmen, the author also thanks to BAP Office of Selcuk University for their financial support.en_US
dc.identifier.doi10.1140/epjd/e2008-00177-0en_US
dc.identifier.endpage310en_US
dc.identifier.issn1434-6060en_US
dc.identifier.issue3en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage305en_US
dc.identifier.urihttps://dx.doi.org/10.1140/epjd/e2008-00177-0
dc.identifier.urihttps://hdl.handle.net/20.500.12395/22398
dc.identifier.volume49en_US
dc.identifier.wosWOS:000259961400004en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSPRINGERen_US
dc.relation.ispartofEUROPEAN PHYSICAL JOURNAL Den_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.titleEvaluation of two-center electric field gradient integrals over STOs using elliptical coordinatesen_US
dc.typeArticleen_US

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