Ab initio path integral Monte Carlo study of the 2D uniform electron liquid at finite temperatures

Abstract

We present extensive \emph{ab initio} path integral Monte Carlo (PIMC) simulations of the two-dimensional uniform electron gas (2DEG), covering a broad range of density parameters $r_s=0.1,\dots,50$ and temperatures $Θ=k_\textnormal{B}T/E_\textnormal{Fermi}=0.5,\dots,16$. This allows us to analyze various structural, linear density response and spectral properties. We find clear evidence of a \emph{roton-type} feature in the dynamic structure factor at strong coupling and intermediate wavenumbers. We also benchmark novel dielectric theory implementations for the 2DEG~[Kalkavouras \emph{et al.}~arXiv:2601.14989] for structural and spectral properties across the liquid phase diagram. The PIMC results can be used to benchmark existing theories and approximations, and guide the development of new methodologies.