Evaluation of two- and three-center overlap integrals over complete orthonormal sets of ??-ETOs using their addition theorems

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dc.contributor.authorGuseinov, Israfil Isa
dc.date.accessioned2025-01-27T20:29:28Z
dc.date.available2025-01-27T20:29:28Z
dc.date.issued2005
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractWith the help of addition theorems for complete orthonormal sets of Psi(alpha)-ETOs in momentum space (alpha = 1,0,-1,-2,...) introduced by the author, the general expansion formulas are established for the two- and three-center overlap integrals occurring when Hartree-Fock-Roothaan and explicitly correlated methods, respectively, are employed. The relationships obtained are valid for the arbitrary quantum numbers, screening constants and location of Psi(alpha)supercript stop-ETOs.
dc.identifier.doi10.1007/s10910-004-6902-y
dc.identifier.endpage493
dc.identifier.issn0259-9791
dc.identifier.issue4
dc.identifier.scopus2-s2.0-58449105340
dc.identifier.scopusqualityQ2
dc.identifier.startpage489
dc.identifier.urihttps://doi.org/10.1007/s10910-004-6902-y
dc.identifier.urihttps://hdl.handle.net/20.500.12428/22954
dc.identifier.volume38
dc.identifier.wosWOS:000232793600006
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofJournal of Mathematical Chemistry
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectcomplete orthonormal sets of exponential-type orbitals
dc.subjectaddition theorems
dc.subjectmomentum space
dc.subjectoverlap integrals
dc.titleEvaluation of two- and three-center overlap integrals over complete orthonormal sets of ??-ETOs using their addition theorems
dc.typeArticle

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