On the evaluation of determinantal wave functions in open-shell Hartree-Fock theory

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dc.contributor.authorGuseinov, Israfil Isa
dc.contributor.authorDemir, Ramazan
dc.date.accessioned2025-01-27T19:02:42Z
dc.date.available2025-01-27T19:02:42Z
dc.date.issued2001
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractSlater method is modified for the evaluation of determinantal wave functions appearing in open-shell Hartree-Fock (HF) theory. Using modified Slater method we have calculated, as an example, the orbital energies and the wave functions of terms obtained from the electronic configuration of a ground state of an N-atom system in the Hartree-Fock-Roothaan (HFR) approximation. The modified determinantal method introduced in this paper can be of considerable help and importance in the simplification and calculation of atomic and molecular electronic structure.
dc.identifier.endpage414
dc.identifier.issn1300-0101
dc.identifier.issue5
dc.identifier.scopus2-s2.0-0034879970
dc.identifier.scopusqualityQ2
dc.identifier.startpage407
dc.identifier.trdizinid33639
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/33639
dc.identifier.urihttps://hdl.handle.net/20.500.12428/13635
dc.identifier.volume25
dc.indekslendigikaynakScopus
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofTurkish Journal of Physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_Scopus_20250125
dc.subjectDeterminantal wave function; Hartree-Fock theory; Open-shell system
dc.titleOn the evaluation of determinantal wave functions in open-shell Hartree-Fock theory
dc.typeArticle

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