Berlin 2015 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 71: Correlated Electrons: Poster Session

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 [1]. 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 [2]. 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) [3]. Comparisons of the method with approximate results from Montroll-Ward and higher order pertubation theory and Restricted PIMC calculations will be presented.

[1] E. W. Brown, B. K. Clark, J. L. DuBois, and D. M. Ceperley,

Phys. Rev. Lett. 110, 146405 (2013).

[2] V. V. Karasiev, T. Sjostrom, J. Dufty, and S. B. Trickey,

Phys. Rev. Lett. 112, 076403 (2014).

[3] T. Schoof, S. Groth, and M. Bonitz,

Contrib. Plasma Phys. (2014), DOI: 10.1002/ctpp.20140072

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