Calculation of three-center electric and magnetic multipole moment integrals using translation formulas for Slater-type orbitals

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.contributor.authorOrbay, M
dc.date.accessioned2025-01-27T20:49:38Z
dc.date.available2025-01-27T20:49:38Z
dc.date.issued2000
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractBy the use of translation formulas for the expansion of Slater-type orbitals (STOs) in terms of STOs at a new origin, three-center electric and magnetic multipole moment integrals are expressed in terms of two-center multipole moment integrals for the evaluation of which closed analytical formulas are used. The convergence of the series is tested by calculating concrete cases. Computer. results with an accuracy of 10(-7) are obtained for 2(v) pole electric and magnetic multipole moment integrals for 1 less than or equal to v less than or equal to 5 and for arbitrary values of screening constants of atomic orbitals and internuclear distances.
dc.identifier.doi10.1007/s002140000165
dc.identifier.endpage410
dc.identifier.issn1432-881X
dc.identifier.issue5
dc.identifier.startpage407
dc.identifier.urihttps://doi.org/10.1007/s002140000165
dc.identifier.urihttps://hdl.handle.net/20.500.12428/25255
dc.identifier.volume104
dc.identifier.wosWOS:000088863500010
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.subjectmultipole moments
dc.subjectSlater-type orbitals
dc.subjectoverlap integrals
dc.titleCalculation of three-center electric and magnetic multipole moment integrals using translation formulas for Slater-type orbitals
dc.typeLetter

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