• Title of article

    Adiabatic connections and properties of coupling-integrated exchange–correlation holes and pair densities in density functional theory

  • Author/Authors

    Pistol، نويسنده , , M.-E. and Almbladh، نويسنده , , C.-O.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2009
  • Pages
    4
  • From page
    136
  • To page
    139
  • Abstract
    We demonstrate a method that likely will improve the accuracy of functionals used in density functional theory and pair density functional theory. In deriving the method we show that the coupling-integrated exchange–correlation hole used in density functional theory obeys all the N-representability conditions as non-integrated holes and we give two such conditions, not normally used by the density functional theory community. We will also show that in addition to the normal adiabatic connection there exist a dual adiabatic connection where the kinetic energy is integrated over the inverse electron mass.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2009
  • Journal title
    Chemical Physics Letters
  • Record number

    1927573