Path Integral Molecular Dynamics for Bosons

Abstract

Trapped Bosons exhibit fundamental physical phenomena and are potentially useful for quantum technologies. We present a method for simulating Bosons using path integral molecular dynamics. A main challenge for simulations is including all permutations due to exchange symmetry. We show that evaluation of the potential can be done recursively, avoiding explicit enumeration of permutations, and scales cubically with system size. The method is applied to Bosons in a 2D trap and agrees with essentially exact results. An analysis of the role of exchange with decreasing temperature is also presented.

References in corpus (14)

• Theory of Bose-Einstein condensation in trapped gases
• A High Phase-Space-Density Gas of Polar Molecules
• Single-Atom Resolved Fluorescence Imaging of an Atomic Mott Insulator
• Probing the Superfluid to Mott Insulator Transition at the Single Atom Level
• Creation of ultracold molecules from a Fermi gas of atoms
• Observation of a dipolar quantum gas with metastable supersolid properties
• Nuclear quantum effects enter the mainstream
• Worm Algorithm for Continuous-space Path Integral Monte Carlo Simulations
• Fermionization of two distinguishable fermions
• Three-body interactions with cold polar molecules
• Quantum correlations and degeneracy of identical bosons in a 2D harmonic trap
• Partition functions and symmetric polynomials
• Quantum symmetry from enhanced sampling methods
• Fermionic properties of two interacting bosons in a two-dimensional harmonic trap

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