Momentum distribution function and short-range correlations of the warm dense electron gas -- ab initio quantum Monte Carlo results

Abstract

In a classical plasma the momentum distribution, $n(k)$, decays exponentially, for large $k$, and the same is observed for an ideal Fermi gas. However, when quantum and correlation effects are relevant simultaneously, an algebraic decay, $n_{\infty }(k)\sim k^{-8}$ has been predicted. This is of relevance for cross sections and threshold processes in dense plasmas that depend on the number of energetic particles. Here we present extensive \textit{ab initio} results for the momentum distribution of the nonideal uniform electron gas at warm dense matter conditions. Our results are based on first principle fermionic path integral Monte Carlo (CPIMC) simulations and clearly confirm the $k^{-8}$ asymptotic. This asymptotic behavior is directly linked to short-range correlations which are analyzed via the on-top pair distribution function (on-top PDF), i.e. the PDF of electrons with opposite spin. We present extensive results for the density and temperature dependence of the on-top PDF and for the momentum distribution in the entire momentum range.

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• Electronic Density Response of Warm Dense Matter
• First principles simulations of dense hydrogen
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• Ab initio path integral Monte Carlo approach to the momentum distribution of the uniform electron gas at finite temperature without fixed nodes
• Overcoming finite-size effects in electronic structure simulations at extreme conditions
• Exchange-correlation effect in the charge response of a warm dense electron gas
• The uniform electron gas at high temperatures: \emph{ab initio} path integral Monte Carlo simulations and analytical theory
• Abnormal superfluid fraction and structural properties of electrons in 2D and 3D quantum dots: an ab initio path-integral Monte Carlo study
• Classical and Quantum Theory of Fluctuations for Many-Particle Systems out of Equilibrium
• Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme
• Momentum distribution of the Uniform Electron Gas at finite temperature: Effects of spin-polarization
• Kinetic contribution to the arbitrary order odd frequency moments of the dynamic structure factor
• Nonlinear electronic density response of the warm dense electron gas: multiple perturbations and mode coupling