Simulation of the Warm-Dense Homogeneous Electron Gas
ORAL
Abstract
Warm-dense matter (WDM), where both the Coulomb coupling parameter ($\Gamma \equiv q^{2}/(r_{s} k_{B} T)$) and the electron degeneracy parameter ($\Theta \equiv k_{B} T/\epsilon_{F}$) are approximately unity, exists in systems as disparate as planetary interiors and along the pathway to inertial confinement fusion. Attempts to characterize this regime through the use of Density Functional Theory (DFT) require an accurate equation of state. Here we present results for a first-principles simulation of the homogeneous electron gas (HEG) in the warm-dense regime through Restricted Path Integral Monte Carlo (RPIMC). These results could be used as a benchmark for improved functionals, as well as input for orbital-free DFT formulations.
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Authors
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Ethan Brown
University of Illinois at Urbana-Champaign
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David Ceperley
University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois, Urbana-Champaign, IL 61801
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Jonathan Dubois
Lawrence Livermore National Lab, Lawrence Livermore National Laboratory