Bremen 2017 – wissenschaftliches Programm
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P: Fachverband Plasmaphysik
P 10: Theory and Modeling I
P 10.3: Vortrag
Dienstag, 14. März 2017, 14:45–15:00, HS 2010
The Uniform Electron Gas at Warm Dense Matter Conditions — •Simon Groth1, Tobias Dornheim1, Travis Sjostrom2, and Michael Bonitz1 — 1Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany — 2Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
The availability of an accurate parametrization of the exchange correlation energy of the uniform electron gas (UEG) on the basis of ground state quantum Monte Carlo simulations has been crucial for the success of density functional theory (DFT) calculations within the local density approximation. However, it is widely agreed [1] that the description of recent experiments with inertial confinement fusion and laser-excited solids within the DFT framework requires to go beyond the ground state. While an explicitely thermodynamic DFT approach is long known, it relies on an accurate parametrization of the exchange correlation free energy of the UEG at warm dense matter conditions. Here we present our novel parametrization that is based on our ab initio simulations [2,3] and perform benchmarks against various other parametrizations.
V. Karasiev et al. Phys. Rev. E 93, 063207 (2016)
T. Schoof et al., Phys. Rev. Lett. 115, 130402 (2015)
T. Dornheim et al. Phys. Rev. Lett. 117, 156403 (2016)
This work is supported by DFG project BO1366-10 and via SFB TR-24 Project
No. A9.