title: Path-integral Monte Carlo simulation of the warm dense homogeneous electron gas.
abstract: We perform calculations of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r(s) ≡ (3/4πn)(1/3)a(0)(-1) = 1.0-40.0 and Θ ≡ 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.
authors.affiliation: Department of Physics, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801-3080, USA and Lawrence Livermore National Lab, 7000 East Avenue, L-415, Livermore, California 94550, USA.
authors.forename: Ethan W
authors.initials: EW
authors.lastname: Brown
authors.affiliation: Station Q, Microsoft Research, Santa Barbara, California 93106, USA.
authors.forename: Bryan K
authors.initials: BK
authors.lastname: Clark
authors.affiliation: Lawrence Livermore National Lab, 7000 East Avenue, L-415, Livermore, California 94550, USA.
authors.forename: Jonathan L
authors.initials: JL
authors.lastname: DuBois
authors.affiliation: Department of Physics, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801-3080, USA.
authors.forename: David M
authors.initials: DM
authors.lastname: Ceperley