English

Exchange-correlation energy for the 3D homogeneous electron gas at arbitrary temperature

Strongly Correlated Electrons 2014-09-11 v2 Other Condensed Matter

Abstract

We fit finite-temperature path integral Monte Carlo calculations of the exchange-correlation energy of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r_{s} = (3/4\pi n)^{1/3} a_{B}^{-1} < 40 and \Theta = T/T_{F} > 0.0625). In doing so, we construct a Pad\'{e} approximant which collapses to Debye-H\"{u}ckel theory in the high-temperature, low-density limit. Likewise, the zero-temperature limit matches the numerical results of ground-state quantum Monte Carlo, as well as analytical results in the high-density limit.

Keywords

Cite

@article{arxiv.1306.1863,
  title  = {Exchange-correlation energy for the 3D homogeneous electron gas at arbitrary temperature},
  author = {Ethan W. Brown and Jonathan L. DuBois and Markus Holzmann and David M. Ceperley},
  journal= {arXiv preprint arXiv:1306.1863},
  year   = {2014}
}

Comments

4 pages, 3 figures