English

Path Integral Monte Carlo Simulations of liquid $^3$He without Fixed Nodes: Structural Properties and Collective Excitations

Computational Physics 2021-09-10 v1 Atomic Physics

Abstract

We present extensive new \emph{ab initio} path integral Monte Carlo (PIMC) simulations of normal liquid 3^3He without any nodal constraints. This allows us to study the effects of temperature on different structural properties like the static structure factor S(q)S(\mathbf{q}), the momentum distribution n(q)n(\mathbf{q}), and the static density response function χ(q)\chi(\mathbf{q}), and to unambiguously quantify the impact of Fermi statistics. In addition, the dynamic structure factor S(q,ω)S(\mathbf{q},\omega) is rigorously reconstructed from imaginary-time PIMC data, and we find the familiar phonon-maxon-roton dispersion that is well known from 4^4He and has been reported previously for two-dimensional 3^3He films [Nature \textbf{483}, 576-579 (2012)]. The comparison of our new results for both S(q)S(\mathbf{q}) and S(q,ω)S(\mathbf{q},\omega) to neutron scattering measurements reveals an excellent agreement between theory and experiment.

Keywords

Cite

@article{arxiv.2109.04280,
  title  = {Path Integral Monte Carlo Simulations of liquid $^3$He without Fixed Nodes: Structural Properties and Collective Excitations},
  author = {Tobias Dornheim and Zhandos Moldabekov and Jan Vorberger and Burkhard Militzer},
  journal= {arXiv preprint arXiv:2109.04280},
  year   = {2021}
}