On the calculation of arbitrary multielectron molecular integrals over slater-type orbitals using recurrence relations for overlap integrals.: III.: Auxiliary functions Qqnn? and Gq-nn?

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.date.accessioned2025-01-27T21:03:39Z
dc.date.available2025-01-27T21:03:39Z
dc.date.issued2002
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractThe auxiliary functions Q(nn)(q), (p,pt) and G(-nn)(q), (p(a),p,pt) which are used in our previous paper [Guseinov, Israfil Isa; Mamedov, B. A. Int J Quantum Chem 2001, 81, 117] for the computation of multicenter electron-repulsion integrals over Slater-type orbitals (STOs) are discussed in detail, and the method is given for their numerical computation. The present method is suitable for all values of the parameters p(a),p, and pt. Three- and four-center electron-repulsion integrals are calculated for extremely large quantum numbers using relations for auxiliary functions obtained in this paper. (C) 2002 John Wiley Sons, Inc.
dc.identifier.doi10.1002/qua.10045
dc.identifier.endpage449
dc.identifier.issn0020-7608
dc.identifier.issn1097-461X
dc.identifier.issue5
dc.identifier.scopus2-s2.0-0037083046
dc.identifier.scopusqualityQ2
dc.identifier.startpage440
dc.identifier.urihttps://doi.org/10.1002/qua.10045
dc.identifier.urihttps://hdl.handle.net/20.500.12428/27388
dc.identifier.volume86
dc.identifier.wosWOS:000173502400005
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley
dc.relation.ispartofInternational Journal of Quantum Chemistry
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectSlater-type orbitals
dc.subjectmulticenter integrals
dc.subjectauxiliary functions
dc.titleOn the calculation of arbitrary multielectron molecular integrals over slater-type orbitals using recurrence relations for overlap integrals.: III.: Auxiliary functions Qqnn? and Gq-nn?
dc.typeArticle

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