DOI

The problem of the partial inclusion of electron correlation effects has been considered in the framework of the unrestricted Hartree-Fock method. The calculation of the electronic structure of the [Ti2O9]12- cluster is performed. The results obtained demonstrate that, in some cases, a major part of static correlation effects can be taken into account in the unrestricted Hartree-Fock approximation. The influence of these effects on the local characteristics of crystals is analyzed.

Original languageEnglish
Pages (from-to)59-64
Number of pages6
JournalPhysics of the Solid State
Volume42
Issue number1
DOIs
StatePublished - Jan 2000

    Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

ID: 84356251