• Title of article

    The adiabatic connection method: a non-empirical hybrid

  • Author/Authors

    Burke، نويسنده , , Kieron and Ernzerhof، نويسنده , , Matthias and Perdew، نويسنده , , John P.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1997
  • Pages
    6
  • From page
    115
  • To page
    120
  • Abstract
    For systems in which generalized gradient approximations (GGAs) work better for exchange-correlation energies than for exchange alone, a simple hybrid of GGA energies with the exact exchange energy is derived which improves the GGA result. A criterion is given which shows when this hybrid makes the greatest improvement. Results for molecules are given, showing that multiply bonded systems are most improved.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1997
  • Journal title
    Chemical Physics Letters
  • Record number

    1779414