Vosko, Wilk and Nusair electron


Local exchange and correlation functionals involve only the values of the electron spin densities. Slater and Xa are well-known local exchange functionals, and the local spin density treatment of Vosko, Wilk and Nusair (VWN) is a widely-used local correlation functional.  [c.119]

The correlation energy of a uniform electron gas has been determined by Monte Carlo methods for a number of different densities. In order to use these results in DFT calculations, it is desirable to have a suitable analytic interpolation formula. This has been constructed by Vosko, Wilk and Nusair (VWN) and is in general considered to be a very accurate fit. It interpolates between die unpolarized ( = 0) and spin polarized (C = 1) limits by the following functional.  [c.183]

S. H. Vosko, L. Wilk and M. Nusair, Accurate spin-dependent electron liquid correlation energies for local spin density calculations a critical analysis, Canadian J. Phys., 58,1200 (1980).  [c.282]

S. H. Vosko, L. Wilk, and M. Nusair, Accurate spin-dependent electron liquid correlation energies for local spin density calculations a critical analysis, Can. J. Phys. 58 1200 (1908).  [c.62]

S.H. Vosko, L. Wilk, and M. Nusair, Accurate spin-dependent electron liquid correlation energies for local spin density calculations a critical analysis, Can. J. Phys. 58, 1200 (1980).  [c.244]


Introduction to computational chemistry (2001) -- [ c.0 ]