Abstract
We perform calculations of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (rs≡(3/4πn)1 /3a0-1=1.0-40.0 and Θ≡T/TF=0.0625-8.0) using restricted path-integral Monte Carlo simulations. Precise energies, pair correlation functions, and structure factors are obtained. For all densities, we find a significant discrepancy between the ground state parametrized local density approximation and our results around TF. These results can be used as a benchmark for developing finite-temperature density functionals, as well as input for orbital-free density function theory formulations.
Original language | English (US) |
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Article number | 146405 |
Journal | Physical review letters |
Volume | 110 |
Issue number | 14 |
DOIs | |
State | Published - Apr 5 2013 |
ASJC Scopus subject areas
- Physics and Astronomy(all)