Unified treatment of overlap integrals with integer and noninteger n Slater-type orbitals using translational and rotational transformations for spherical harmonics

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.date.accessioned2025-01-27T20:22:31Z
dc.date.available2025-01-27T20:22:31Z
dc.date.issued2004
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractA unified treatment of two-center overlap integrals over Slater-type orbitals (STO) with integer and noninteger values of the principal quantum numbers is described. Using translation and rotation formulas for spherical harmonics, the overlap integrals with integer and noninteger n Slater-type orbitals are expressed through the basic overlap integrals and spherical harmonics. The basic overlap integrals are calculated using auxiliary functions A(sigma) and B-k. The analytical relations obtained in this work are especially useful for the calculation of overlap integrals for large integer and noninteger principal quantum numbers. The formulas established in this study for overlap integrals can be used for the construction of series expansions based on addition theorems.
dc.identifier.doi10.1139/P03-116
dc.identifier.endpage211
dc.identifier.issn0008-4204
dc.identifier.issn1208-6045
dc.identifier.issue3
dc.identifier.scopus2-s2.0-2942596454
dc.identifier.scopusqualityQ3
dc.identifier.startpage205
dc.identifier.urihttps://doi.org/10.1139/P03-116
dc.identifier.urihttps://hdl.handle.net/20.500.12428/21926
dc.identifier.volume82
dc.identifier.wosWOS:000220730300005
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherCanadian Science Publishing
dc.relation.ispartofCanadian Journal of Physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectComplete Orthonormal Sets
dc.subjectNuclear-Attraction Integrals
dc.subjectMultielectron Molecular Integrals
dc.subjectExponential-Type Orbitals
dc.subjectQuantum Numbers Increase
dc.subject2-Center Overlap
dc.subjectSymmetrical Properties
dc.subjectAddition Theorems
dc.subjectCoefficients
dc.subjectComputation
dc.titleUnified treatment of overlap integrals with integer and noninteger n Slater-type orbitals using translational and rotational transformations for spherical harmonics
dc.typeArticle

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