Berlin 2015 – wissenschaftliches Programm
TT 71.74: Poster
Mittwoch, 18. März 2015, 15:00–18:00, Poster B
Configuration Path Integral Monte Carlo Simulations of the Degenerate Homogeneous Electron Gas at Finite Temperatures — •Tim Schoof, Simon Groth, Jan Vorberger, and Michael Bonitz — Institut für Theoretische Physik und Astrophysik, Christian-Albrechts Universität zu Kiel, Germany
Quantum Monte Carlo simulations of the homogeneous electron gas (HEG) in the highly degenerate regime are generally hampered by the Fermion sign problem . However, accurate data for thermodynamic properties over a full range of densities at finite temperatures are of great interest for many systems, including warm dense matter, and for numerical modeling serving as input to finite-temperature DFT calculations . The Configuration PIMC (CPIMC) method does not suffer from the Fermion sign problem in the non-interacting limit and allows for efficient ab-initio simulations of the HEG at high densities (rs ≤ 1) and low to moderate temperatures (T/TF ≤ 1) . Comparisons of the method with approximate results from Montroll-Ward and higher order pertubation theory and Restricted PIMC calculations will be presented.
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