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

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dc.authorid0000-0003-0689-786X
dc.contributor.authorYakar, Y
dc.contributor.authorOzmen, A
dc.contributor.authorAtav, U
dc.date.accessioned2019-08-01T13:38:39Z
dc.date.available2019-08-01T13:38:39Z
dc.date.issued2006
dc.departmentNiğde ÖHÜ
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.
dc.identifier.doi10.1002/cjoc.200690116
dc.identifier.endpage608
dc.identifier.issn1001-604X
dc.identifier.issue5
dc.identifier.scopus2-s2.0-33745051350
dc.identifier.scopusqualityQ1
dc.identifier.startpage603
dc.identifier.urihttps://dx.doi.org/10.1002/cjoc.200690116
dc.identifier.urihttps://hdl.handle.net/11480/5520
dc.identifier.volume24
dc.identifier.wosWOS:000237342100003
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthor[0-Belirlenecek]
dc.language.isoen
dc.publisherWILEY-V C H VERLAG GMBH
dc.relation.ispartofCHINESE JOURNAL OF CHEMISTRY
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectoverlap integral
dc.subjecthybrid integral
dc.subjectcoulomb integral
dc.subjectSlater type orbital
dc.subjectelliptical coordinate
dc.titleEvaluation of two-center one- and two-electron integrals over Slater type orbitals
dc.typeArticle

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