• Title of article

    Perturbative density functional approximation in the view of weighted density concept and beyond

  • Author/Authors

    Zhou، نويسنده , , Shiqi، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2004
  • Pages
    6
  • From page
    208
  • To page
    213
  • Abstract
    Functional expansion of non-uniform first-order direct correlation function (DCF) around bulk density is rewritten with the concept of weighted density, it is found that the resulting first-order expansion term is actually the first-order expansion term of the Taylor series expansion of the uniform first-order DCF with weighted density as its density argument, the higher-order terms are incorporated into the first-order expansion approximation by Lagrangian theorem. Based on the functional integration view, the present Letter devises a numerical procedure to predict excess Helmholtz free energy from the approximation for the non-uniform first-order DCF. The physical foundation of the present discussion also applies to electronic density functional theory.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2004
  • Journal title
    Chemical Physics Letters
  • Record number

    1783037