Pair-distribution functions of two-temperature two-mass systems: Comparison of MD, HNC, CHNC, QMC and Kohn-Sham calculations for dense hydrogen

TL;DR

This study compares various computational methods, including MD, HNC, CHNC, QMC, and Kohn-Sham calculations, to accurately determine pair-distribution functions in dense two-temperature, two-mass hydrogen plasmas relevant to astrophysics and inertial confinement fusion.

Contribution

It establishes the correct procedures for using HNC and CHNC methods to evaluate pair-distribution functions in complex two-temperature, two-mass plasma systems, validated against benchmark QMC and Kohn-Sham results.

Findings

HNC and CHNC methods can be accurately calibrated for two-temperature, two-mass plasmas.

Results for electron-hole fluids with a 1:5 mass ratio are provided.

Pair-distribution functions for compressed hydrogen are obtained and validated.

Abstract

Two-temperature, two-mass quasi-equilibrium plasmas may occur in electron-ion plasmas,nuclear-matter, as well as in electron-hole condensed-matter systems. Dense two-temperature hydrogen plasmas straddle the difficult partially - degenerate regime of electron densities and temperatures which are important in astrophysics, in inertial-confinement fusion research, and other areas of warm dense matter physics. Results from Kohn-Sham calculations and QMC are used to benchmark the procedures used in classical molecular-dynamics simulations, HNC and CHNC methods to derive electron-electron and electron-proton pair - distribution functions. Then, nonequilibrium molecular dynamics for two -temperature, two-mass plasmas are used to obtain the pair distribution. Using these results, the correct HNC and CHNC procedures for the evaluation of pair-distribution functions in two-temperature two-mass two-component charged fluids are established. Results for a mass ratio of 1:5, typical of electron-hole fluids, as well as for compressed hydrogen are presented. PACS Numbers: 52.25.Kn, 52.25Gj, 71.10.-w, 52.27.Gr, 26.30.+k