Calculation of multicenter electronic attraction, electric field and electric field gradient integrals of Coulomb potential over integer and noninteger n Slater orbitals

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.date.accessioned2025-01-27T20:22:30Z
dc.date.available2025-01-27T20:22:30Z
dc.date.issued2005
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractWith the help of complete orthonormal sets of psi(alpha) - ETOs, where alpha = 1, 0,- 1,- 2,... a large number of series expansion formulas for the multicenter electronic attraction ( EA), electric field ( EF) and electric field gradient ( EFG) integrals of integer and noninteger n Slater type orbitals ( ISTOs and NISTOs) is established through the overlap integrals with the same screening constants and the new central and noncentral interaction potentials depending on the coordinates of the nuclei of a molecule are introduced. The convergence of the series is tested by calculating concrete cases for arbitrary quantum numbers, screening constants and location of ISTOs and NISTOs.
dc.identifier.doi10.1007/s10910-004-1102-3
dc.identifier.endpage364
dc.identifier.issn0259-9791
dc.identifier.issue4
dc.identifier.scopus2-s2.0-17744374487
dc.identifier.scopusqualityQ2
dc.identifier.startpage353
dc.identifier.urihttps://doi.org/10.1007/s10910-004-1102-3
dc.identifier.urihttps://hdl.handle.net/20.500.12428/21919
dc.identifier.volume37
dc.identifier.wosWOS:000227963000003
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofJournal of Mathematical Chemistry
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectelectronic attraction integrals
dc.subjectelectric field integrals
dc.subjectelectric field gradient integrals
dc.subjectnoninteger principal quantum numbers
dc.titleCalculation of multicenter electronic attraction, electric field and electric field gradient integrals of Coulomb potential over integer and noninteger n Slater orbitals
dc.typeArticle

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