Calculations of overlap integrals over Slater type orbitals using recurrence relations for expansion coefficients

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, B
dc.date.accessioned2025-01-27T20:48:03Z
dc.date.available2025-01-27T20:48:03Z
dc.date.issued2004
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing formulas for the expansion of overlap integrals with the same screening constants in terms of Slater type orbitals (STOs), sets of recurrence relations are established for the expansion coefficients. These recurrence relations are especially useful in the calculation of overlap integrals for large quantum numbers, which occur in the series expansion formulas for multicenter multielectron integrals of integer- and noninteger-n STOs. An accuracy of the computer results is satisfactory for arbitrary quantum numbers, screening constants and location of atomic orbitals.
dc.identifier.endpage54
dc.identifier.issn0340-6253
dc.identifier.issue52
dc.identifier.scopus2-s2.0-7644223356
dc.identifier.scopusqualityQ1
dc.identifier.startpage47
dc.identifier.urihttps://hdl.handle.net/20.500.12428/25124
dc.identifier.wosWOS:000225479100004
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherUniv Kragujevac, Faculty Science
dc.relation.ispartofMatch-Communications in Mathematical and in Computer Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectSlater type orbitals
dc.subjectoverlap integrals
dc.subjectrecurrence relations
dc.subjectscreening constants
dc.titleCalculations of overlap integrals over Slater type orbitals using recurrence relations for expansion coefficients
dc.typeArticle

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