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.

Язык оригиналаанглийский
Страницы (с-по)59-64
Число страниц6
ЖурналPhysics of the Solid State
Том42
Номер выпуска1
DOI
СостояниеОпубликовано - янв 2000

    Предметные области Scopus

  • Электроника, оптика и магнитные материалы
  • Физика конденсатов

ID: 84356251