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.
ASJC Scopus subject areas
- Physics and Astronomy(all)