Jellium at finite temperature

TL;DR

This paper introduces a novel Monte Carlo simulation approach for finite-temperature Wigner's Jellium model, efficiently handling fermionic exchanges using the Worm algorithm, and provides new insights into the structure and thermodynamics of electron gases.

Contribution

It combines the fixed node restricted path integral Monte Carlo method with the Worm algorithm in the grand canonical ensemble to improve simulation efficiency for fermionic systems.

Findings

Results for the structure of the ideal Fermi gas

Thermodynamic properties of the interacting electron gas

Analysis of partially polarized electron gas

Abstract

We adopt the fixed node restricted path integral Monte Carlo method within the "Worm algorithm" to simulate Wigner's Jellium model at finite, non zero, temperatures using free-particle nodes of the density matrix. The new element is that we incorporate the Worm algorithm paradigm of Prokof'ev and Svistunov in the grand canonical ensemble in order to more efficiently handle the fermionic exchanges. We present results for the structure and thermodynamic properties of the ideal Fermi gas and three points for the interacting electron gas. We treat explicitly the case of the partially polarized electron gas.