Evaluation of two-center one- and two-electron integrals over slater type orbitals

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dc.contributor.authorYakar, Yusuf
dc.contributor.authorÖzmen, Ayhan
dc.contributor.authorAtav, Ülfet
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T08:24:36Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T08:24:36Z
dc.date.issued2006
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractA formulation previously presented by the authors for coulomb integrals was generalized to other two-center integrals, except exchange integral. Within this frame, molecular integrals were expressed in terms of some new functions closely related to the well-known incomplete gamma functions and these functions recursively evaluated. Special issues arising in the case of hybrid integrals were addressed, and the results were compared with the ones found in the literature. © 2006 SIOC, CAS, & Wiley-VCH Verlag GmbH & Co. KGaA.
dc.identifier.doi10.1002/cjoc.200690116
dc.identifier.endpage608en_US
dc.identifier.issn1001-604X
dc.identifier.issue5en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage603en_US
dc.identifier.urihttps://dx.doi.org/10.1002/cjoc.200690116
dc.identifier.urihttps://hdl.handle.net/20.500.12451/2943
dc.identifier.volume24en_US
dc.indekslendigikaynakScopus
dc.language.isoen
dc.relation.ispartofChinese Journal of Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectCoulomb Integral
dc.subjectElliptical Coordinate
dc.subjectHybrid Integral
dc.subjectOverlap Integral
dc.subjectSlater Type Orbital
dc.titleEvaluation of two-center one- and two-electron integrals over slater type orbitals
dc.typeArticle

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