Exchange-correlation energy for the three-dimensional homogeneous electron gas at arbitrary temperature

Ethan W. Brown, Jonathan L. Dubois, Markus Holzmann, David M. Ceperley

Research output: Contribution to journalArticlepeer-review

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 [rs(3 /4πn)1/3aB-1<40 and Θ≡T/ TF>0.0625]. In doing so, we construct a Padé approximant which collapses to Debye-Hückel 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.

Original languageEnglish (US)
Article number081102
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume88
Issue number8
DOIs
StatePublished - Aug 5 2013

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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