Total and correlation energy of the uniform polarized electron gas at finite temperature: Direct path integral simulations

30th International Conference on Interaction of Intense Energy Fluxes with Matter

Filinov, V.S.^1 ; Fortov, V.E.^1 ; Bonitz, M.^2 ; Moldabekov, Zh.^2

Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya 13, Moscow

125412, Russia^1

Institute for Theoretical Physics and Astrophysics, Christian Albrechts University Kiel, Leibnizstrasse 15, Kiel

24098, Germany^2

关键词: Correlation energy;    Fermion-sign problem;    Finite temperatures;    High density plasmas;    High-electron-density;    Interparticle distances;    Polarized electrons;    Uniform electron gas;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/653/1/012113/pdf
DOI  :  10.1088/1742-6596/653/1/012113

来源: IOP

【 摘 要 】

The uniform electron gas (UEG) at finite temperature has recently attracted substantial interest due to the experimental progress in the field of warm dense matter. To explain the experimental data accurate theoretical models for high density plasmas are needed which crucially depend on treatment of quantum effects in electron-electron interaction as well as in the interaction of electrons with uniform positive background. To comply with these requirements we have developed the new quantum path integral model of the UEG and present the results of related direct path integral Monte-Carlo (DPIMC) simulations. Contrary to the known in literature approaches treating the electron-background interaction classically our simulations take into account the quantum effects in this interaction. We have observed very good agreement with known in literature results only up to moderate densities when the ratio of the average interparticle distance to the Bohr radius is of order four (rs≥ 4) and observe deviations for higher densities. At very high electron density (rs≈ 1) presented in literature approaches as well as our simulations are problematic due to the strong degeneracy of electrons and increasing fermion sign problem.