Use of Cartesian coordinates in evaluation of multicenter multielectron integrals over slater type orbitals and their derivatives

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dc.contributor.authorGuseinov, Israfil Isa
dc.date.accessioned2025-01-27T20:27:33Z
dc.date.available2025-01-27T20:27:33Z
dc.date.issued2008
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing addition theorems for interaction potentials and Slater type orbitals (STOs) obtained by the author, and the Cartesian expressions through the binomial coefficients for complex and real regular solid spherical harmonics (RSSH) and their derivatives presented in this study, the series expansion formulas for multicenter multielectron integrals of arbitrary Coulomb and Yukawa like central and noncentral interaction potentials and their first and second derivatives in Cartesian coordinates were established. These relations are useful for the study of electronic structure and electron-nuclei interaction properties of atoms, molecules, and solids by Hartree-Fock-Roothaan and correlated theories. The formulas obtained are valid for arbitrary principal quantum numbers, screening constants and locations of STOs.
dc.identifier.doi10.1007/s10910-006-9205-7
dc.identifier.endpage434
dc.identifier.issn0259-9791
dc.identifier.issue2
dc.identifier.scopus2-s2.0-38549128635
dc.identifier.scopusqualityQ2
dc.identifier.startpage427
dc.identifier.urihttps://doi.org/10.1007/s10910-006-9205-7
dc.identifier.urihttps://hdl.handle.net/20.500.12428/22720
dc.identifier.volume43
dc.identifier.wosWOS:000252563900001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofJournal of Mathematical Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectslater type orbitals
dc.subjectaddition theorems
dc.subjectregular solid spherical harmonics
dc.subjectmulticenter multielectron integrals
dc.titleUse of Cartesian coordinates in evaluation of multicenter multielectron integrals over slater type orbitals and their derivatives
dc.typeArticle

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