Path-Integral Monte Carlo Simulation of the Warm Dense Homogeneous Electron Gas

We perform calculations of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r(s) equivalent to (3/4 pi n)(1/3)a(0)(-1) = 1.0-40.0 and Theta equivalent to T/T-F = 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 T-F. 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. DOI: 10.1103/PhysRevLett.110.146405