One-range addition theorems for derivatives of complete orthonormal sets of ??-ETOs

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dc.contributor.authorGuseinov, Israfil Isa
dc.date.accessioned2025-01-27T21:13:12Z
dc.date.available2025-01-27T21:13:12Z
dc.date.issued2005
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractA large number of one-range addition theorems for first and second derivatives of complete orthonormal sets of psi(alpha)-ETOs (alpha = 1,0, - 1, -2....) through the new basic auxiliary functions is presented. The basic auxiliary functions are constructed from the finite linear combinations of psi(alpha)-ETOs. These theorems are especially useful in the study of,electric field and its gradient induced at the nuclei of a molecule by its electrons. The relationships obtained are valid for the arbitrary values of parameters and location of orbitals. (c) 2005 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.theochem.2004.11.046
dc.identifier.endpage55
dc.identifier.issn0166-1280
dc.identifier.issue1-3
dc.identifier.scopus2-s2.0-15944423202
dc.identifier.scopusqualityN/A
dc.identifier.startpage53
dc.identifier.urihttps://doi.org/10.1016/j.theochem.2004.11.046
dc.identifier.urihttps://hdl.handle.net/20.500.12428/28333
dc.identifier.volume719
dc.identifier.wosWOS:000228527600007
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure-Theochem
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectexponential-type orbitals
dc.subjectaddition theorems
dc.subjectmulticenter integrals
dc.titleOne-range addition theorems for derivatives of complete orthonormal sets of ??-ETOs
dc.typeArticle

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