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arXiv:cond-mat/9909451

Meron-Cluster Simulation of Quantum Spin Ladders in a Magnetic Field

Shailesh Chandrasekharan A, B. Scarlet, U.‐J. Wiese

Published Sep 30, 1999• 2 citations
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Abstract

Numerical simulations of numerous quantum systems suffer from the notorious sign problem. Meron-cluster algorithms lead to an efficient solution of sign problems for both fermionic and bosonic models. Here we apply the meron concept to quantum spin systems in an arbitrary external magnetic field, in which case standard cluster algorithms fail. As an example, we simulate antiferromagnetic quantum spin ladders in a uniform external magnetic field that competes with the spin-spin interaction. The numerical results are in agreement with analytic predictions for the magnetization as a function of the external field.

DOI
10.48550/arxiv.cond-mat/9909451

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Numerical simulations of numerous quantum systems suffer from the notorious sign problem. Meron-cluster algorithms lead to an efficient solution of sign problems for both fermionic and bosonic models. Here we apply the meron concept to quantum spin systems in an arbitrary external magnetic field, in which case standard cluster algorithms fail. As an example, we simulate antiferromagnetic quantum spin ladders in a uniform external magnetic field that competes with the spin-spin interaction. The numerical results are in agreement with analytic predictions for the magnetization as a function of the external field.
Motivated by the numerical simulation of systems which display quantum phase transitions, we present a novel application of the meron-cluster algorithm to simulate the quantum antiferromagnetic Heisenberg model coupled to an external uniform magnetic field both in one and in two dimensions.In the infinite volume limit and at zero temperature we found numerical evidence that supports a quantum phase transition very close to the critical values B c = 2 and B c = 4 for the system in one and two dimensions, respectively.For the one dimensional system, we have compared the numerical data obtained with analytical predictions for the magnetization density as a function of the external field obtained by scaling-behaviour analysis and Bethe Ansatz techniques.Since there is no analytical solution for the two dimensional case, we have compared our results with the magnetization density obtained by scaling relations for small lattice sizes and with the approximated thermodynamical limit at zero temperature guessed by scaling relations.Moreover, we have compared the numerical data with other numerical simulations performed by using different algorithms in one and two dimensions, like the directed loop method.The numerical data obtained are in perfect agreement with all these previous results, which confirms that the meron-algorithm is reliable for quantum Monte Carlo simulations and applicable both in one and two dimensions.Finally, we have computed the integrated autocorrelation time to measure the efficiency of the meron algorithm in one dimension.
We discuss the sign problem arising in Monte Carlo simulations of frustrated quantum spin systems. We show that for a class of ``semifrustrated'' systems [Heisenberg models with ferromagnetic couplings Jz(r)<0{J}_{z}(r)<0Jz​(r)<0 along the z axis and antiferromagnetic couplings ${J}_{\mathrm{xy}}(r)=\ensuremath{-}{J}_{z}(r)$ in the xy\mathrm{xy}xy plane, for arbitrary distances r],r],r], the sign problem present for algorithms operating in the z basis can be solved within a recent ``operator-loop'' formulation of the stochastic series expansion method [a cluster algorithm for sampling the diagonal matrix elements of the power series expansion of $\mathrm{exp}(\ensuremath{-}\ensuremath{\beta}H)$ to all orders]. The solution relies on the identification of operator loops which change the configuration sign when updated (``merons'') and is similar to the meron-cluster algorithm recently proposed by Chandrasekharan and Wiese for solving the sign problem for a class of fermion models [Phys. Rev. Lett. 83, 3116 (1999)]. Some important expectation values, e.g., the internal energy, can be evaluated in the subspace with no merons, where the weight function is positive definite. Calculations of other expectation values require sampling of configurations with only a small number of merons (typically zero or two), with an accompanying sign problem which is not serious. We also discuss problems which arise in applying the meron concept to more general quantum spin models with frustrated interactions.
State-of-the-art algorithms for simulating fermions coupled to gauge fields often rely on integrating fermion degrees of freedom. While successful in simulating QCD at zero chemical potential, at finite density these approaches are hindered by the sign problem. We discuss the simulation of lattice gauge theories in the Hamiltonian formalism and present a generalized meron-cluster algorithm for the simulation of the U(1)U\left(1\right)U(1) Quantum Link Model for spin 1/21/21/2. This enables the study of models directly relevant to current quantum simulators and is a promising first step toward constructing new efficient algorithms for more complicated gauge theories.
We present a general strategy to solve the notorious fermion sign problem using cluster algorithms. The method applies to various systems in the Hubbard model family as well as to relativistic fermions. Here it is illustrated for nonrelativistic lattice fermions. A configuration of fermion world lines is decomposed into clusters that contribute independently to the fermion permutation sign. A cluster whose flip changes the sign is referred to as a meron. Configurations containing meron clusters contribute 000 to the path integral, while all other configurations contribute 111. The cluster representation describes the partition function as a gas of clusters in the zero-meron sector.
Coupling spin models to complex external fields can give rise to interesting phenomena like zeroes of the partition function (Lee-Yang zeroes, edge singularities) or oscillating propagators. Unfortunately, it usually also leads to a severe sign problem that can be overcome only in special cases; if the partition function has zeroes, the sign problem is even representation-independent at these points. In this study, we couple the N-state Potts model in different ways to a complex external magnetic field and discuss the above mentioned phenomena and their relations based on analytic calculations (1D) and results obtained using a modified cluster algorithm (general D) that in many cases either cures or at least drastically reduces the sign-problem induced by the complex external field.
Quantum Monte Carlo simulations provide one of the more powerful and versatile numerical approaches to condensed matter systems. However, their application to frustrated quantum spin models, in all relevant temperature regimes, is hamstrung by the infamous “sign problem.” Here we exploit the fact that the sign problem is basis-dependent. Recent studies have shown that passing to a dimer (two-site) basis eliminates the sign problem completely for a fully frustrated spin model on the two-leg ladder. We generalize this result to all partially frustrated two-leg spin-1/2 ladders, meaning those where the diagonal and leg couplings take any antiferromagnetic values. We find that, although the sign problem does reappear, it remains remarkably mild throughout the entire phase diagram. We explain this result and apply it to perform efficient quantum Monte Carlo simulations of frustrated ladders, obtaining accurate results for thermodynamic quantities such as the magnetic specific heat and susceptibility of ladders up to L = 200 L = 200 rungs (400 spins 1/2) and down to very low temperatures.