Calculation of overlap integrals over 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.accessioned2025-01-27T20:16:34Z
dc.date.available2025-01-27T20:16:34Z
dc.date.issued2000
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing translation and rotation formulas for spherical harmonics the finite sums through the basic overlap integrals and spherical harmonics are derived for the arbitrary overlap integrals over Slater-type orbitals (STOs). The recurrence relations for the evaluation of basic overlap integrals have been established recently [Guseinov II, Mamedov BA (1999) J Mol Struct (THEOCHEM 465:1]. By the use of the derived expressions the overlap integrals can be calculated most efficiently and accurately, especially for large quantum numbers of STOs.
dc.identifier.doi10.1007/s002140000184
dc.identifier.endpage95
dc.identifier.issn1432-881X
dc.identifier.issue1
dc.identifier.startpage93
dc.identifier.urihttps://doi.org/10.1007/s002140000184
dc.identifier.urihttps://hdl.handle.net/20.500.12428/21295
dc.identifier.volume105
dc.identifier.wosWOS:000165781800012
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherSpringer-Verlag
dc.relation.ispartofTheoretical Chemistry Accounts
dc.relation.publicationcategoryDiğer
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectSlater-type orbitals
dc.subjectoverlap integrals
dc.subjectspherical harmonics
dc.titleCalculation of overlap integrals over Slater-type orbitals using translational and rotational transformations for spherical harmonics
dc.typeLetter

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