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arXiv:1612.03425 · Physical Review Letters

Auxiliary-Field Monte Carlo Method to Tackle Strong Interactions and Frustration in Lattice Bosons

Daniele Malpetti, Tommaso Roscilde

Published Jul 26, 2017• 2 citations
arXivHTMLPDF

Abstract

We introduce a new numerical technique, the bosonic auxiliary-field Monte Carlo method, which allows us to calculate the thermal properties of large lattice-boson systems within a systematically improvable semiclassical approach, and which is virtually applicable to any bosonic model. Our method amounts to a decomposition of the lattice into clusters, and to an ansatz for the density matrix of the system in the form of a cluster-separable state-with nonentangled, yet classically correlated clusters. This approximation eliminates any sign problem, and can be systematically improved upon by using clusters of growing size. Extrapolation in the cluster size allows us to reproduce numerically exact results for the superfluid transition of hard-core bosons on the square lattice, and to provide a solid quantitative prediction for the superfluid and chiral transition of hardcore bosons on the frustrated triangular lattice.

DOI
10.1103/physrevlett.119.040602

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Abstract We extend a semiclassical numerical method, bosonic auxiliary-field Monte Carlo, to quantum spin systems. This method breaks the lattice into clusters, solves each cluster precisely and couples them with classical auxiliary fields through classical Monte Carlo simulation. We test the method with antiferromagnetic spin models in one-dimensional chains, square lattices and triangular lattices, and obtain reasonable results at finite temperatures. This algorithm builds a bridge between classical Monte Carlo method and quantum methods. The algorithm can be improved with either progress in classical Monte Carlo sampling or the development of quantum solvers, and can also be further applied to systems with different lattices or interactions.
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The sign problem poses a fundamental barrier to numerically exact quantum Monte Carlo simulations, severely hindering our understanding of quantum many-body physics across disciplines ranging from condensed matter to particle and nuclear physics. Geometrical frustration makes this barrier especially acute for interacting bosons. Here, we develop a bosonic auxiliary-field quantum Monte Carlo (BAFQMC) method and rigorously prove that time-reversal symmetry and reflection positivity each provide a general sufficient condition for sign-problem-free simulations. Crucially, under either criterion, BAFQMC evades the sign problem even on frustrated lattices where conventional world-line and stochastic-series-expansion methods fail. Benchmarking our approach on a two-flavor Bose-Hubbard model on the triangular lattice yields excellent quantitative agreement with finite-temperature exact diagonalization. By establishing unifying principles to solve the sign problem in BAFQMC, our work substantially expands the reach of unbiased, numerically exact simulations for frustrated bosonic matter.
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