Variational treatment of electronic correlations ind-band metals View Full Text


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Article Info

DATE

1981-03

AUTHORS

G. Stollhoff, P. Thalmeier

ABSTRACT

We discuss the effects of electronic correlation on the ground state energy, effective local moment and charge fluctuations for a model of transition metals. The model consists of a bcc or fcc-canonicald-band with intraatomic Coulomb and exchange interaction. We find that for realistic interaction parameters the correlated state shows enhanced spinfluctuations indicating the formation of local moments and strongly reduced charge fluctuations compared to the HF state. We also find that in generaleg andt2g-states can show a different extent of correlation which suggests the use of anisotropic exchange correlation potentials in transition metals. The application of our model to bcc iron and fcc nickel is also considered. More... »

PAGES

13-21

References to SciGraph publications

  • 1977-09. A local approach to the computation of correlation energies of molecules in ZEITSCHRIFT FÜR PHYSIK B CONDENSED MATTER
  • 1972-07. Correlation effects in the Hubbard model in NONE
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1007/bf01295470

    DOI

    http://dx.doi.org/10.1007/bf01295470

    DIMENSIONS

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