One-range addition theorems for derivatives of Slater-type orbitals

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dc.contributor.authorGuseinov, Israfil Isa
dc.date.accessioned2025-01-27T20:27:31Z
dc.date.available2025-01-27T20:27:31Z
dc.date.issued2004
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing addition theorems for STOs introduced by the author with the help of complete orthonormal sets of psi(alpha)-ETOs (Guseinov II (2003) J Mol Model 9:190-194), where alpha=1, 0, -1, -2, ..., a large number of one-range addition theorems for first and second derivatives of STOs are established. These addition theorems are especially useful for computation of multicenter-multielectron integrals over STOs that arise in the Hartree-Fock-Roothaan approximation and also in the Hylleraas function method, which play a significant role for the study of electronic structure and electron-nuclei interaction properties of atoms, molecules, and solids. The relationships obtained are valid for arbitrary quantum numbers, screening constants and location of STOs.
dc.identifier.doi10.1007/s00894-004-0188-7
dc.identifier.endpage215
dc.identifier.issn0948-5023
dc.identifier.issue3
dc.identifier.pmid15029482
dc.identifier.scopus2-s2.0-3042531850
dc.identifier.scopusqualityQ2
dc.identifier.startpage212
dc.identifier.urihttps://doi.org/10.1007/s00894-004-0188-7
dc.identifier.urihttps://hdl.handle.net/20.500.12428/22713
dc.identifier.volume10
dc.identifier.wosWOS:000221729000006
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherSpringer-Verlag
dc.relation.ispartofJournal of Molecular Modeling
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectaddition theorems
dc.subjectslater-type orbitals
dc.subjectmulticenter-multielectron integrals
dc.titleOne-range addition theorems for derivatives of Slater-type orbitals
dc.typeArticle

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