The localized Hartree-Fock method for a self-interaction free Kohn-Sham potential: applications to closed and open-shell molecules (Articolo in rivista)

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  • The localized Hartree-Fock method for a self-interaction free Kohn-Sham potential: applications to closed and open-shell molecules (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Della Sala, F (2007)
    The localized Hartree-Fock method for a self-interaction free Kohn-Sham potential: applications to closed and open-shell molecules
    in Theoretical Chemistry accounts (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Della Sala, F (literal)
Pagina inizio
  • 981 (literal)
Pagina fine
  • 989 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 117 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Lecce, Natl Nanotechnol Lab, INFM, CNR, I-73100 Lecce, Italy (literal)
Titolo
  • The localized Hartree-Fock method for a self-interaction free Kohn-Sham potential: applications to closed and open-shell molecules (literal)
Abstract
  • The localized Hartree-Fock and the open-shell LHF (OSLHF) approaches are reviewed and rederived under a unique formalism. Three different treatments of the OSLHF correction term are discussed and results for excitation energies are presented for small- and medium-size closed- and open-shell molecules. (literal)
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