title: Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit.
abstract: We perform ab initio quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with the linear response theory, we are able to remove finite-size errors from the potential energy over the substantial parts of the warm dense regime, overcoming the deficiencies of the existing finite-size corrections by Brown et al. [Phys. Rev. Lett. 110, 146405 (2013)]. Extensive new QMC results for up to N=1000 electrons enable us to compute the potential energy V and the exchange-correlation free energy F_{xc} of the macroscopic electron gas with an unprecedented accuracy of |ΔV|/|V|,|ΔF_{xc}|/|F|_{xc}∼10^{-3}. A comparison of our new data to the recent parametrization of F_{xc} by Karasiev et al. [Phys. Rev. Lett. 112, 076403 (2014)] reveals significant deviations to the latter.
authors: Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany.
authors: Tobias
authors: T
authors: Dornheim
authors: Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany.
authors: Simon
authors: S
authors: Groth
authors: Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
authors: Travis
authors: T
authors: Sjostrom
authors: Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
authors: Fionn D
authors: FD
authors: Malone
authors: Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
authors: W M C
authors: WM
authors: Foulkes
authors: Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany.
authors: Michael
authors: M
authors: Bonitz