Homogeneous Electron Gas Characterized in the Warm Dense Regime

We perform calculations of the 3D finite-temperature homogeneous electron gas in the warm-dense regime 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 the Fermi temperature. 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.

The work appeared in Physical Review Letters.