English

Dynamic exchange-correlation effects in the strongly coupled electron liquid

Strongly Correlated Electrons 2024-05-15 v1 Chemical Physics Plasma Physics

Abstract

We present the first quasi-exact \textit{ab initio} path integral Monte Carlo (PIMC) results for the dynamic local field correction G~(q,zl;rs,Θ)\widetilde{G}(\mathbf{q},z_l;r_s,\Theta) in the imaginary Matsubara frequency domain, focusing on the strongly coupled finite temperature uniform electron gas. These allow us to investigate the impact of dynamic exchange--correlation effects onto the static structure factor. Our results provide a straightforward explanation for previously reported spurious effects in the so-called \textit{static approximation} [Dornheim \textit{et al.}, \textit{Phys.~Rev.~Lett.}~\textbf{125}, 235001 (2020)], where the frequency-dependence of the local field correction is neglected. Our findings hint at the intriguing possibility of constructing an analytical four-parameter representation of G~(q,zl;rs,Θ)\widetilde{G}(\mathbf{q},z_l;r_s,\Theta) valid for a substantial part of the phase diagram, which would constitute key input for thermal density functional theory simulations.

Keywords

Cite

@article{arxiv.2405.08480,
  title  = {Dynamic exchange-correlation effects in the strongly coupled electron liquid},
  author = {Tobias Dornheim and Panagiotis Tolias and Fotios Kalkavouras and Zhandos Moldabekov and Jan Vorberger},
  journal= {arXiv preprint arXiv:2405.08480},
  year   = {2024}
}
R2 v1 2026-06-28T16:26:42.516Z