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Physical review. B, Condensed matter

Exact evaluation of the second-order exchange energy of a two-dimensional electron fluid

A. Isihara, Liderio Citrangulo Ioriatti Junior

Published Jul 1, 1980• 46 citations
Publisher

Abstract

A new rigorous method is presented for the evaluation of the second-order exchange energy of a two-dimensional electron fluid. The resulting energy 0.2287 Ry is significant in the correlation energy, in contrast to the three-dimensional case. The present method is applicable to three dimensions.
DOI
10.1103/physrevb.22.214

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We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair-correlation function, static structure factor, and momentum density of the ground state of the two-dimensional (2D) homogeneous electron gas. We have used highly accurate Slater-Jastrow-backflow trial wave functions and twist averaging to reduce finite-size effects where applicable. We compare our results with others in the literature and construct a local-density-approximation exchange-correlation functional for 2D systems.