Calculation of electric multipole moment integrals using translation formulas for Slater-type orbitals

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dc.authoridGasanov, Arzuman/0000-0002-3642-1689
dc.authoridOrbay, Metin/0000-0001-5405-2883
dc.authoridOzdogan, Telhat/0000-0002-0211-770X
dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.contributor.authorOrbay, M
dc.contributor.authorÖzdogan, T
dc.contributor.authorRzaeva, AM
dc.contributor.authorGasanov, AG
dc.date.accessioned2025-01-27T20:49:38Z
dc.date.available2025-01-27T20:49:38Z
dc.date.issued2000
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing translation formulas for Slater-type orbitals the infinite series through the overlap integrals are derived for the electric multipole moment integrals. By the use of the derived expressions the electric multipole moment integrals, and therefore, the electric properties of molecules can be evaluated most efficiently and accurately. The convergence of the series is tested by calculating concrete cases. An accuracy of 10(-5) for the computer results is obtained for 1 less than or equal to v less than or equal to 5, and for the arbitrary values of internuclear distances and screening constants of atomic orbitals.
dc.identifier.doi10.1088/0253-6102/33/1/27
dc.identifier.endpage32
dc.identifier.issn0253-6102
dc.identifier.issue1
dc.identifier.scopus2-s2.0-0012852814
dc.identifier.scopusqualityQ1
dc.identifier.startpage27
dc.identifier.urihttps://doi.org/10.1088/0253-6102/33/1/27
dc.identifier.urihttps://hdl.handle.net/20.500.12428/25256
dc.identifier.volume33
dc.identifier.wosWOS:000085038200006
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherHuazhong Univ Sci Tech Press
dc.relation.ispartofCommunications in Theoretical Physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectmultipole moments
dc.subjectSlater-type orbitals
dc.subjectoverlap integrals
dc.titleCalculation of electric multipole moment integrals using translation formulas for Slater-type orbitals
dc.typeArticle

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