Physics – Condensed Matter – Materials Science
Scientific paper
2000-08-11
Physics
Condensed Matter
Materials Science
4 pages, 3 figures
Scientific paper
10.1103/PhysRevLett.87.036401
We use variational quantum Monte Carlo to calculate the density-functional exchange-correlation hole n_{xc}, the exchange-correlation energy density e_{xc}, and the total exchange-correlation energy E_{xc}, of several electron gas systems in which strong density inhomogeneities are induced by a cosine-wave potential. We compare our results with the local density approximation and the generalized gradient approximation. It is found that the nonlocal contributions to e_{xc} contain an energetically significant component, the magnitude, shape, and sign of which are controlled by the Laplacian of the electron density.
Foulkes W. M. C.
Needs Richard J.
Nekovee Maziar
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