Comment on "Diffusion Monte Carlo study of jellium surfaces: Electronic densities and pair correlation functions"

Details Comment on "Diffusion Monte Carlo study of jellium surfaces: Electronic densities and pair correlation functions" Comment on "Diffusion Monte Carlo study of jellium surfaces: Electronic densities and pair correlation functions"

2004-04-14

arxiv.org/abs/cond-mat/0404321v1

Phys. Rev. B 70, 087401 (2004)

Physics

Condensed Matter

Materials Science

3 pages, 2 figures, to appear in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.70.087401

In a fixed-node diffusion Monte Carlo calculation of the total energy of jellium slabs, Acioli and Ceperley [Phys. Rev. B {\bf 54}, 17199 (1996)] reported jellium surface energies that at low electron densities were significantly higher than those predicted in the local-density approximation (LDA) of density-functional theory. Assuming that the fixed-node error in the slab and the bulk calculations cancel out, we show that their data yield surface energies that are considerably closer to the LDA and in reasonable agreement with those obtained in the random-phase approximation.

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