• Title of article

    Further evidence of the conjoint correction to the local kinetic and exchange energy density functionals

  • Author/Authors

    Fuentealba، نويسنده , , P. and Reyes، نويسنده , , O.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1995
  • Pages
    4
  • From page
    31
  • To page
    34
  • Abstract
    Further evidence is shown that a kinetic energy functional can be used as an exchange energy functional and, conversely, exchange used as a kinetic energy functional, with a proper transformation of energy as a functional of the density. We have used functionals with two adjustable parameters to determine the kinetic exchange energies of the atoms from He to Ar and some diatomic molecules. The results fit the Hartree-Fock energies with remarkable accuracy.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1995
  • Journal title
    Chemical Physics Letters
  • Record number

    1772431