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

نویسندگان

  • Ethan W. Brown
  • Jonathan L. DuBois
  • Markus Holzmann
  • David M. Ceperley
چکیده

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)1/3a−1 B < 40 and ≡ 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.

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تاریخ انتشار 2013