Ab initio Path Integral Monte Carlo Simulations of Quantum Dipole Systems in Traps: Superfluidity, Quantum Statistics, and Structural Properties

Abstract

We present extensive \textit{ab initio} path integral Monte Carlo (PIMC) simulations of two-dimensional quantum dipole systems in a harmonic confinement, taking into account both Bose- and Fermi-statistics. This allows us to study the nonclassical rotational inertia, which can lead to a negative superfluid fraction in the case of fermions [Phys. Rev. Lett. \textbf{112}, 235301 (2014)]. Moreover, we study in detail the structural characteristics of such systems, and are able to clearly resolve the impact of quantum statistics on density profiles and the respective shell structure. Further, we present results for a more advanced center-two particle correlation function [Phys. Rev. E \textbf{91}, 043104 (2015)], which allows to detect differences between Fermi- and Bose-systems that do not manifest in other observables like the density. Overall, we find that bosonic systems sensitively react to even small values of the dipole--dipole coupling strength, whereas such a weak interaction is effectively masked for fermions by the Pauli exclusion principle. In addition, the abnormal superfluid fraction for fermions is not reflected by the structural properties of the system, which are equal to the bosonic case even though the moments of inertia diverge from each other. Lastly, we have demonstrated that fermionic PIMC simulations of quantum dipole systems are feasible despite the notorious fermion sign problem, which opens up new avenues for future investigations in this field.

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Cited by in corpus (8)

• Electronic Density Response of Warm Dense Matter
• First principles simulations of dense hydrogen
• Nonlinear density response from imaginary-time correlation functions: Ab initio path integral Monte Carlo simulations of the warm dense electron gas
• Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration
• Fermion Sign Problem in Path Integral Monte Carlo Simulations: Grand-canonical ensemble
• Abnormal superfluid fraction and structural properties of electrons in 2D and 3D quantum dots: an ab initio path-integral Monte Carlo study
• Combining Harmonic Sampling with the Worm Algorithm to Improve the Efficiency of Path Integral Monte Carlo
• Path Integral Monte Carlo Simulations of liquid ${}^3$He without Fixed Nodes: Structural Properties and Collective Excitations