Papers
Topics
Authors
Recent
Search
2000 character limit reached

Ab initio path integral Monte Carlo simulations of the uniform electron gas on large length scales

Published 14 Nov 2023 in physics.chem-ph, cond-mat.str-el, physics.comp-ph, and physics.plasm-ph | (2311.08098v1)

Abstract: The accurate description of non-ideal quantum many-body systems is of prime importance for a host of applications within physics, quantum chemistry, material science, and related disciplines. At finite temperatures, the gold standard is given by \textit{ab initio} path integral Monte Carlo (PIMC) simulations, which do not require any empirical input, but exhibit an exponential increase in the required compute time for fermionic systems with increasing the system size $N$. Very recently, it has been suggested to compute fermionic properties without this bottleneck based on PIMC simulations of fictitious identical particles. In the present work, we use this technique to carry out very large ($N\leq1000$) PIMC simulations of the warm dense electron gas and demonstrate that it is capable of providing a highly accurate description of investigated properties, i.e., the static structure factor, the static density response function, and local field correction, over the entire range of length scales.

Citations (12)

Summary

Paper to Video (Beta)

Whiteboard

No one has generated a whiteboard explanation for this paper yet.

Open Problems

We haven't generated a list of open problems mentioned in this paper yet.

Continue Learning

We haven't generated follow-up questions for this paper yet.

Collections

Sign up for free to add this paper to one or more collections.