• Title of article

    Exchange and correlation Kohn–Sham functionals for the helium atom: locality and homogeneity

  • Author/Authors

    Gianna Moscardo، نويسنده , , Federico and Sancho-Garc??a، نويسنده , , J.C.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1998
  • Pages
    5
  • From page
    314
  • To page
    318
  • Abstract
    The locality and homogeneous nature of the exchange and correlation functionals for the ground state of the helium atom, in the Kohn–Sham formulation, are revisited. Our analysis is focused on the integrands of both functionals, although the integrated quantities are compared with previous results. Both functionals are not local, and the correlation functional is not homogeneous. To study the non-locality, a set of dependences on the derivatives of the density, compatible with the more general constraints that must be fulfilled, is selected. We are not able to explain the non-local nature of the functionals.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1998
  • Journal title
    Chemical Physics Letters
  • Record number

    1775242