Momentum Distribution Functions and Pair Correlation Functions of Unpolarized Uniform Electron Gas in Warm Dense Matter Regime

Abstract

In this paper we continued our research of the uniform electron gas in a warm dense matter regime, focusing on the momentum distribution functions and pair correlation functions. We use the single–momentum path integral Monte Carlo method, based on the Wigner formulation of quantum statistics to calculate both momentum- and coordinate-depending distributions and average values of quantum operators for many-fermion Coulomb systems. We discovered that the single-particle momentum distribution function deviates from the ideal Fermi distribution and forms the so-called “quantum tails” at high momenta, if non-ideality is strong enough in both degenerate and non-degenerate cases. This effect is always followed by the appearance of the short-range order on pair correlation functions and can be explained by the tunneling through the effective potential wells surrounding the electrons. Furthermore, we calculated the average kinetic and potential energies in the wide range of states, expanding our previous results significantly.

Keywords

• uniform electron gas
• warm dense matter
• quantum Monte Carlo
• path integrals