Hannover 2016 – scientific programme

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P: Fachverband Plasmaphysik

P 22: Theory and Modelling III

P 22.5: Talk

Thursday, March 3, 2016, 12:25–12:40, b305

Ab Initio Thermodynamic Results for the Uniform Electron Gas at Finite Temperature — •Tobias Dornheim, Tim Schoof, Simon Groth, and Michael Bonitz — Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel

The uniform electron gas (UEG) at finite temperature is of high current interest due to its key relevance for many applications including dense plasmas and laser excited solids, as well as density functional theory. Quantum Monte Carlo (QMC) simulations of the UEG in the highly degenerate regime are generally hampered by the fermion sign problem. Until recently, at finite temperature, low densities had been accessible solely to Restricted PIMC (RPIMC) calculations [1], which, however, are afflicted with an uncontrollable systematic error. In this work we, therefore, combine two novel complementary approaches that allow us to simulate the UEG over a broad parameter range: Configuration PIMC (CPIMC) [2,3] and Permutation Blocking PIMC (PB-PIMC) [4,5].
E. Brown et al., Phys. Rev. Lett. 110, 146405 (2013)
T. Schoof et al., Contrib. Plasmas Phys. 51, 687 (2011)
T. Schoof et al., Phys. Rev. Lett. 115, 130402 (2015)
T. Dornheim et al., New J. Phys. 17, 073017 (2015)
T. Dornheim et al., J. Chem. Phys. (in print), arXiv:1508.03221