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arXiv:cond-mat/0408565 · Physical Review B

Continuous-time diffusion Monte Carlo method applied to the quantum dimer model

Olav F. Syljuåsen

Published Jan 10, 2005• 37 citations
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Abstract

A continuous-time formulation of the diffusion Monte Carlo method for lattice models is presented. In its simplest version, without the explicit use of trial wave functions for importance sampling, the method is an excellent tool for investigating quantum lattice models in parameter regions close to generalized Rokhsar-Kivelson points. This is illustrated by showing results for the quantum dimer model on both triangular and square lattices. The potential energy of two test monomers as a function of their separation is computed at zero temperature. The existence of deconfined monomers in the triangular lattice is confirmed. The method allows also the study of dynamic monomers. A finite fraction of dynamic monomers is found to destroy the confined phase on the square lattice when the hopping parameter increases beyond a finite critical value. The phase boundary between the monomer confined and deconfined phases is obtained.

DOI
10.1103/physrevb.71.020401

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A continuous-time formulation of the diffusion Monte Carlo method for lattice models is presented. In its simplest version, without the explicit use of trial wave functions for importance sampling, the method is an excellent tool for investigating quantum lattice models in parameter regions close to generalized Rokhsar-Kivelson points. This is illustrated by showing results for the quantum dimer model on both triangular and square lattices. The potential energy of two test monomers as a function of their separation is computed at zero temperature. The existence of deconfined monomers in the triangular lattice is confirmed. The method allows also the study of dynamic monomers. A finite fraction of dynamic monomers is found to destroy the confined phase on the square lattice when the hopping parameter increases beyond a finite critical value. The phase boundary between the monomer confined and deconfined phases is obtained.
The plaquette phase of the square-lattice quantum dimer model is studied using a continuous-time reptation quantum Monte Carlo method for lattices of sizes up to $48\ifmmode\times\else\texttimes\fi{}48$ sites. We determine the location of the phase transition between the columnar and plaquette phases to occur at ${V}_{c}∕J=0.60\ifmmode\pm\else\textpm\fi{}0.05$ which is significantly larger than inferred from previous exact diagonalization studies on smaller lattices. Off diagonal correlation functions are obtained. They exhibit long-range order in the plaquette phase but not at the Rokhsar-Kivelson point. We also observe significant finite-size corrections to scaling for the transition between the plaquette phase and the critical resonating valence bond liquid. This study demonstrates the importance of understanding finite-size effects when considering critical properties of the square-lattice quantum dimer model.
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We study the correlations of classical hard-core dimer models doped with monomers by Monte Carlo simulation. We introduce an efficient cluster algorithm, which is applicable in any dimension, for different lattices and arbitrary doping. We use this algorithm for the dimer model on the square lattice, where a finite density of monomers destroys the critical confinement of the two-monomer problem. The monomers form a two-component plasma located in its high-temperature phase, with the Coulomb interaction screened at finite densities. On the triangular lattice, a single pair of monomers is not confined. The monomer correlations are extremely short ranged and hardly change with doping.
Using exact diagonalizations and Green's function Monte Carlo simulations, we have studied the zero-temperature properties of the quantum dimer model on the triangular lattice on clusters with up to 588 sites. A detailed comparison of the properties in different topological sectors as a function of the cluster size and for different cluster shapes has allowed us to identify different phases, to show explicitly the presence of topological degeneracy in a phase close to the Rokhsar-Kivelson point, and to understand finite-size effects inside this phase. The nature of the various phases has been further investigated by calculating dimer-dimer correlation functions. The present results confirm and complement the phase diagram proposed by Moessner and Sondhi on the basis of finite-temperature simulations [Phys. Rev. Lett. 86, 1881 (2001)].
There is a class of quantum Hamiltonians known as Rokhsar–Kivelson (RK)–Hamiltonians for which static ground state properties can be obtained by evaluating thermal expectation values for classical models. The ground state of an RK–Hamiltonian is known explicitly, and its dynamical properties can be obtained by performing a classical Monte Carlo simulation. We discuss the details of a Diffusion Monte Carlo method that is a good tool for studying statics and dynamics of perturbed RK–Hamiltonians without time discretization errors. As a general result we point out that the relation between the quantum dynamics and classical Monte Carlo simulations for RK–Hamiltonians follows from the known fact that the imaginary-time evolution operator describing optimal importance sampling, where the exact ground state is used as guiding function, is Markovian. Thus quantum dynamics can be studied by classical Monte Carlo for any Hamiltonian provided its ground state is known explicitly and that there is no sign problem.
Boson lattices are theoretically well described by the Hubbard model. The basic model and its variants can be effectively simulated using Monte Carlo techniques. We describe two newly developed approaches, the Stochastic Series Expansion (SSE) with directed loop updates and continuous–time Diffusion Monte Carlo (CTDMC). SSE is a formulation of the finite temperature partition function as a stochastic sampling over product terms. Directed loops is a general framework to implement this stochastic sampling in a non–local fashion while maintaining detailed balance. CTDMC is well suited to finding exact ground–state properties, applicable to any lattice model not suffering from the sign problem; for a lattice model the evolution of the wave function can be performed in continuous time without any time discretization error. Both the directed loop algorithm and the CTDMC are important recent advances in development of computational methods. Here we present results for a Hubbard model for anti–ferromagnetic spin–1 bosons in one dimensions, and show evidence for a dimerized ground state in the lowest Mott lobe.