Internal pages


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,
SelfConsistent 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 spindependent 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:
Selfinteraction correction to densityfunctional approximations for manyelectron systems
J. P. Perdew and Alex Zunger
Phys. Rev. B 23, 5048 (1981) (subscription needed).
 PW:
Accurate and simple analytic representation of the electrongas correlation energy
J. P. Perdew and Y. Wang
Phys. Rev. B 45, 13244 (1992) (subscription needed).
