Publication:
Calculation of Overlap Integrals over Slater-Type Orbitals Using Translational and Rotational Transformations for Spherical Harmonics

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dc.contributor.authorGuseinov, II
dc.contributor.authorMamedov, BA
dc.date.accessioned2020-06-21T15:49:42Z
dc.date.available2020-06-21T15:49:42Z
dc.date.issued2000
dc.departmentOMÜen_US
dc.department-tempOnsekiz Mart Univ, Fac Art & Sci, Dept Phys, Canakkale, Turkey -- Ondokuz Mayis Univ, Fac Educ, Dept Phys, Amasya, Turkey --en_US
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.en_US
dc.identifier.doi10.1007/s002140000184
dc.identifier.endpage95en_US
dc.identifier.issn1432-881X
dc.identifier.issue1en_US
dc.identifier.startpage93en_US
dc.identifier.urihttps://doi.org/10.1007/s002140000184
dc.identifier.urihttps://hdl.handle.net/20.500.12712/22288
dc.identifier.volume105en_US
dc.identifier.wosWOS:000165781800012
dc.language.isoenen_US
dc.publisherSpringer-Verlagen_US
dc.relation.journalTheoretical Chemistry Accountsen_US
dc.relation.publicationcategoryDiğeren_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSlater-Type Orbitalsen_US
dc.subjectOverlap Integralsen_US
dc.subjectSpherical Harmonicsen_US
dc.titleCalculation of Overlap Integrals over Slater-Type Orbitals Using Translational and Rotational Transformations for Spherical Harmonicsen_US
dc.typeLetteren_US
dspace.entity.typePublication

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