English

Permutation Blocking Path Integral Monte Carlo approach to the Static Density Response of the Warm Dense Electron Gas

Strongly Correlated Electrons 2017-08-23 v1

Abstract

The static density response of the uniform electron gas is of fundamental importance for numerous applications. Here, we employ the recently developed \textit{ab initio} permutation blocking path integral Monte Carlo (PB-PIMC) technique [T.~Dornheim \textit{et al.}, \textit{New J.~Phys.}~\textbf{17}, 073017 (2015)] to carry out extensive simulations of the harmonically perturbed electron gas at warm dense matter conditions. In particular, we investigate in detail the validity of linear response theory and demonstrate that PB-PIMC allows to obtain highly accurate results for the static density response function and, thus, the static local field correction. A comparison with dielectric approximations to our new \textit{ab initio} data reveals the need for an exact treatment of correlations. Finally, we consider a superposition of multiple perturbations and discuss the implications for the calculation of the static response function.

Keywords

Cite

@article{arxiv.1706.00315,
  title  = {Permutation Blocking Path Integral Monte Carlo approach to the Static Density Response of the Warm Dense Electron Gas},
  author = {Tobias Dornheim and Simon Groth and Jan Vorberger and Michael Bonitz},
  journal= {arXiv preprint arXiv:1706.00315},
  year   = {2017}
}