Thermodynamic properties of the finite-temperature electron gas by the fermionic path integral Monte Carlo method

Abstract

The recently developed quantum path integral Monte Carlo approach [Filinov et al., Phys. Rev. E 102(3), 033203 (2020)] has been applied for the entropy difference calculations for the strongly coupled degenerated uniform electron gas (UEG), a well-known model of simple metals. The used approach includes the Coulomb and exchange interaction of fermions in the basic Monte Carlo cell and its periodic images as well as the change of variables in the path integral measure and exchange determinant. Calculations have been carried out at finite temperature in the canonical ensemble. Presented results include the pair distribution functions, the isochors, and isotherms of pressure, internal energy, and the entropy change in the strongly coupled and degenerate UEG. The obtained data may be useful for density functional theory.