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Functionals: Local Density Approximation

The Local Density Approximation (LDA) is discussed in the following articles:

  • The LDA was proposed already in one of the very first articles on DFT,
    Self-Consistent Equations Including Exchange and Correlation Effects
    W. Kohn and L.J. Sham,
    Phys. Rev. 140, A1133 (1965) (subscription needed).

  • Exchange: In LDA the exchange energy per particle in each spatial point is taken as the exchange energy per particle from a uniform electron gas with a density equivalent to the density in this same point.

  • Correlation: Originally Wigner correlation was used in LDA.

  • Correlation: In 1980, Ceperly and Alder (CA) published a study of the total energy of a uniform electron gas,
    Ground State of the Electron Gas by a Stochastic Method
    D. M. Ceperley and B. J. Alder,
    Phys. Rev. Lett. 45, 566 (1980) (subscription needed).
    All modern correlation energies per particle are parametrizations of the CA data.

    • VWN: Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
      S. H. Vosko, L. Wilk, and M. Nusair
      Can. J. Phys. 58, 1200 (1980).
      A copy of this article can be obtained here.

    • PZ: Self-interaction correction to density-functional approximations for many-electron systems
      J. P. Perdew and Alex Zunger
      Phys. Rev. B 23, 5048 (1981) (subscription needed).

    • PW: Accurate and simple analytic representation of the electron-gas correlation energy
      J. P. Perdew and Y. Wang
      Phys. Rev. B 45, 13244 (1992) (subscription needed).




Maintained by: Ann Mattsson
Modified on: December 15, 2014