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Comparison of density functionals approximations in the jellium model for metal clusters

Authors: L. M. Almeida and C. Fiolhais

Ref.: International Journal of Modern Physics B 15 (10-11), 1724-1727 (2001)

Abstract: We calculated the exchange, correlation and total energies of clusters of alkali metals with N = 1 - 150 atoms in the spherical jellium model. The calculations were made using the Kohn-Sham method with exchange and correlation energies evaluated in the meta-generalized gradient approximation (MGGA), proposed by J. P. Perdew, S. Kurth, A. Zupan, and P. Blaha, in the generalized gradient approximation (GGA) of J. P. Perdew, K. Burke and M. Emzerhof, and in the Local Density Approximation (LDA).