• Title of article

    Description of metals based on localized electrons

  • Author/Authors

    Rassolov، نويسنده , , Vitaly A. and Garashchuk، نويسنده , , Sophya V. and Ratner، نويسنده , , Mark A.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2002
  • Pages
    7
  • From page
    219
  • To page
    225
  • Abstract
    We study dielectric properties of metallic systems using a modified Pariser-Parr-Pople model in the single determinant approximation. Our model does not invoke extra screening; it describes long-range coulomb interaction exactly and approximates and neglects only the short-range exchange and correlation effects. We show that in metallic systems this long-range coulomb interaction leads to spatial localization of electronic orbitals over several atoms, different from orbital localization on single atoms in Mott insulators. We speculate that such localization is also important for the description of metallic transport properties based on Hartree–Fock or Kohn–Sham density functional theory formalisms.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2002
  • Journal title
    Chemical Physics Letters
  • Record number

    1782106