One-range addition theorems for derivatives of integer and noninteger u Coulomb-Yukawa type central and noncentral potentials and their application to multicenter integrals of integer and noninteger n Slater orbitals

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dc.contributor.authorGuseinov, Israfil Isa
dc.date.accessioned2025-01-27T20:14:49Z
dc.date.available2025-01-27T20:14:49Z
dc.date.issued2005
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing properties of regular solid spherical harmonics the one-range addition theorems for first and second derivatives of combined Coulomb (eta = 0) and Yukawa (eta > 0) type potentials f(uvs)(eta, (r) over bar) = r(u-v-1)e(-eta r)T(vs)(x, y, z), where T-vs(x, y, z) = [4 pi/(2 nu + 1)](1/2)r(nu)S(vs)(theta, phi), with integer and noninteger values of indices it are presented. With the help of these addition theorems and complete orthonormal sets of Psi(alpha)-ETOs, where alpha = 1, 0, -1, -2,..., a large number of series expansion formulae for arbitrary one-electron multicenter integrals over integer and noninteger n STOs and their derivatives are established. The final results are expressed in terms of two-center overlap integrals between noninteger n STOs. The series expansion formulae obtained in this work is especially useful for the study of electronic structure and electron-nuclei interaction properties of atoms, molecules, and solids. It should be noted that the results for the noninteger indices of potentials and STOs presented in this paper were not appeared in our past publications. (c) 2005 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.theochem.2005.10.002
dc.identifier.endpage169
dc.identifier.issn0166-1280
dc.identifier.issue1-3
dc.identifier.scopus2-s2.0-28844438318
dc.identifier.scopusqualityN/A
dc.identifier.startpage165
dc.identifier.urihttps://doi.org/10.1016/j.theochem.2005.10.002
dc.identifier.urihttps://hdl.handle.net/20.500.12428/21209
dc.identifier.volume757
dc.identifier.wosWOS:000234302100020
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Bv
dc.relation.ispartofJournal of Molecular Structure-Theochem
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectSlater type orbitals
dc.subjectmulticenter integrals
dc.subjectcentral and noncentral interaction potentials
dc.subjectnoninteger principal quantum numbers
dc.titleOne-range addition theorems for derivatives of integer and noninteger u Coulomb-Yukawa type central and noncentral potentials and their application to multicenter integrals of integer and noninteger n Slater orbitals
dc.typeArticle

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