2012/11/30 by Ethan W. Brown, Bryan K. Clark, Jonathan L. DuBois +1
Physics and Astronomy · #cond-mat.str-el #cond-mat.other
paper · pdf · doi:10.1103/physrevlett.110.146405
arxiv created 2012/12/05 · arxiv updated 2013/04/10
We perform calculations of the 3D finite-temperature homogeneous electron gas (HEG) in the warm-dense regime (rs ≡ (3/4πn)1/3aB- 1 = 1.0- 40.0 and Θ≡ T/TF = 0.0625- 8.0) using restricted path integral Monte Carlo (RPIMC). Precise energies, pair correlation functions, and structure factors are obtained. For all densities, we find a significant discrepancy between the ground state parameterized local density approximation (LDA) and our results around TF . These results can be used as a benchmark for improved functionals, as well as input for orbital-free DFT formulations.