SMuK 2021 – wissenschaftliches Programm

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P: Fachverband Plasmaphysik

P 17: Poster II

P 17.42: Poster

Freitag, 3. September 2021, 14:00–16:00, P

The uniform electron gas in the thermodynamic limit: fermionic path integral Monte Carlo simulations — •Alexey Filinov^1,2, Pavel Levashov², and MichaeI Bonitz¹ — ¹Institut für Theoretische Physik und Astrophysik, CAU Kiel — ²Joint Institute for High Temperatures, RAS, Moscow

The uniform electron gas (UEG) is one of the key models for the understanding of warm dense matter–an exotic, highly compressed state of matter between solid and plasma phases. The difficulty in modeling the UEG arises from the need to simultaneously account for Coulomb correlations, quantum and exchange effects. The most accurate results so far were obtained from QMC simulations. However, QMC for electrons is hampered by the fermion sign problem. Here we present results from a novel fermionic-propagator path integral Monte Carlo (FP-PIMC) in the restricted grand canonical ensemble (R-GCE). The ab-initio simulation results for the spin-resolved pair distribution functions and static structure factor are reported for two isotherms T/T_F=1,2. Furthermore, we combine the results from the linear response theory in the STLS-scheme with the QMC data to remove finite-size errors in the interaction energy. We present a new corrected parametrization for the interaction energy v(r_s,θ) and the exchange-correlation free energy f_xc(r_s,θ) in the thermodynamic limit, and benchmark our results against the RPIMC by Brown et al. [Phys.Rev.Lett. 110, 146405 (2013)] and PBPIMC by Dornheim et al. [Phys. Rev.Lett. 117, 115701 (2016)].