Calculation of electric multipole moment integrals with the different screening parameters via the Fourier transform method

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dc.authoridYUKCU, Niyazi/0000-0001-7169-7237
dc.contributor.authorYukcu, N.
dc.contributor.authorSenlik, I.
dc.contributor.authorOztekin, E.
dc.date.accessioned2025-03-23T19:47:07Z
dc.date.available2025-03-23T19:47:07Z
dc.date.issued2012
dc.departmentSinop Üniversitesi
dc.description.abstractThree-center electric multipole moment integrals over Slater-type orbitals (STOs) can be evaluated by translating the orbitals on one center to the other and reducing the system to an expansion of two-center integrals. These are then evaluated using Fourier transforms. The resulting expression depends on the overlap integrals that can be evaluated with the greatest ease. They involve expressions for STO with different screening parameters that are known analytically. This work gives the overall expressions analytically in a compact form, based on Gegenbauer polynomials. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem 112: 414-425, 2012
dc.identifier.doi10.1002/qua.23033
dc.identifier.endpage425
dc.identifier.issn0020-7608
dc.identifier.issn1097-461X
dc.identifier.issue2
dc.identifier.scopus2-s2.0-83455245752
dc.identifier.scopusqualityQ2
dc.identifier.startpage414
dc.identifier.urihttps://doi.org/10.1002/qua.23033
dc.identifier.urihttps://hdl.handle.net/11486/7286
dc.identifier.volume112
dc.identifier.wosWOS:000298595800007
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley
dc.relation.ispartofInternational Journal of Quantum Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WOS_20250323
dc.subjectelectric multipole moment integrals
dc.subjectSlater-type orbitals
dc.subjectoverlap integrals
dc.subjectFourier transform
dc.titleCalculation of electric multipole moment integrals with the different screening parameters via the Fourier transform method
dc.typeArticle

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