Algorithm for the storage of Clebsch-Gordan and Gaunt coefficients with the same selection rule and its application to multicenter integrals

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.date.accessioned2025-01-27T20:58:18Z
dc.date.available2025-01-27T20:58:18Z
dc.date.issued2005
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractCommon algorithm is presented for the generation and storage of all unique, non-zero Clebsch-Gordan and Gaunt coefficients for which the sum of the three angular momentum quantum numbers is a non-negative even integer. This algorithm is especially useful for the fast computation of arbitrary multicenter integrals over Slater type orbitals (STOs) appearing in the Hartree-Fock-Roothaan and Hylleraas approaches. The storage algorithm obtained for the Clebsch-Gordan and Gaunt coefficients is utilized, as for examples, in the computation of two-electron multicenter integrals occurring in the Hartree-Fock-Roothaan equations of a molecule. (c) 2004 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.theochem.2004.08.036
dc.identifier.endpage181
dc.identifier.issn0166-1280
dc.identifier.issue1-3
dc.identifier.scopus2-s2.0-13944265111
dc.identifier.scopusqualityN/A
dc.identifier.startpage177
dc.identifier.urihttps://doi.org/10.1016/j.theochem.2004.08.036
dc.identifier.urihttps://hdl.handle.net/20.500.12428/26667
dc.identifier.volume715
dc.identifier.wosWOS:000227590100023
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Bv
dc.relation.ispartofJournal of Molecular Structure-Theochem
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectClebsch-Gordan and Gaunt coefficients
dc.subjectmulticenter integrals
dc.subjectSlater type orbitals
dc.titleAlgorithm for the storage of Clebsch-Gordan and Gaunt coefficients with the same selection rule and its application to multicenter integrals
dc.typeArticle

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