Calculation of Rotation Coefficients for Overlap Integrals Over Arbitrary Atomic Orbitals

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dc.contributor.authorGuseinov, I. I.
dc.contributor.authorAtav, Ü.
dc.contributor.authorÖzmen, A.
dc.contributor.authorYüksel, H.
dc.contributor.authorAliyeva, T. H.
dc.date.accessioned2020-03-26T16:25:33Z
dc.date.available2020-03-26T16:25:33Z
dc.date.issued1997
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractRotation coefficients for overlap integrals over arbitrary atomic orbitals are calculated by two methods. In the first method, using binomial coefficients, directly calculated Clebsch-Gordan coefficients and normalized associated Legendre functions were used to obtain the rotation coefficients. Whereas in the second method recursively calculated Clebsch-Gordan coefficients and normalized associated Legendre functions were used. The methods are compared with respect to cpu time requirement and accuracy. It was concluded that it is appropriate to use the first method for angular momentum quantum numbers up to 40 and for larger quantum numbers the second method is more advantageous.en_US
dc.identifier.citationGuseinov, I. I., Atav, Ü., Özmen, A., Yüksel, H., Aliyeva, T. H., (1997). Calculation of Rotation Coefficients for Overlap Integrals Over Arbitrary Atomic Orbitals. Turkish Journal of Physics, 21(10), 1087-1092.
dc.identifier.endpage1092en_US
dc.identifier.issn1300-0101en_US
dc.identifier.issue10en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage1087en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12395/16622
dc.identifier.volume21en_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorGuseinov, I. I.
dc.institutionauthorAtav, Ü.
dc.institutionauthorÖzmen, A.
dc.institutionauthorYüksel, H.
dc.language.isoenen_US
dc.relation.ispartofTurkish Journal of Physicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectAssociated Legendre Functionsen_US
dc.subjectClebsch-Gordan Coefficientsen_US
dc.subjectOverlap Integralsen_US
dc.subjectRotation of Overlap Integralsen_US
dc.titleCalculation of Rotation Coefficients for Overlap Integrals Over Arbitrary Atomic Orbitalsen_US
dc.typeArticleen_US

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