Use of auxiliary functions in calculation of multicenter electronic attraction, electric field and electric field gradient integrals of screened and nonscreened Coulomb potentials over noninteger n Slater orbitals

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorMamedov, BA
dc.date.accessioned2025-01-27T20:22:32Z
dc.date.available2025-01-27T20:22:32Z
dc.date.issued2005
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractBy the use of complete orthonormal sets of Psi(alpha)-exponential type orbitals (Psi(alpha) - ETOs, alpha = 1,0,-1,-2,..)and auxiliary functions Q(NN')(q) introduced in our previous paper [I.I. Guseinov, J. Phys. B, 3 (1970) 1399] the multicenter electronic attraction, electric field and electric field gradient integrals of nonscreened and Yukawa-like screened Coulomb potentials over integer and noninteger n Slater type orbitals are evaluated. These integrals are expressed through the two-center overlap integrals with the same screening constants and the new central and noncentral potential functions depending upon the auxiliary functions Q(NN')(q). The convergence of the series is tested by calculating concrete cases. (c) 2004 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.chemphys.2004.12.004
dc.identifier.endpage226
dc.identifier.issn0301-0104
dc.identifier.issn1873-4421
dc.identifier.issue1-3
dc.identifier.scopus2-s2.0-15744373822
dc.identifier.scopusqualityQ2
dc.identifier.startpage223
dc.identifier.urihttps://doi.org/10.1016/j.chemphys.2004.12.004
dc.identifier.urihttps://hdl.handle.net/20.500.12428/21933
dc.identifier.volume312
dc.identifier.wosWOS:000228206700026
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofChemical Physics
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.titleUse of auxiliary functions in calculation of multicenter electronic attraction, electric field and electric field gradient integrals of screened and nonscreened Coulomb potentials over noninteger n Slater orbitals
dc.typeArticle

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