We describe a stochastic series expansion quantum Monte Carlo method for a two-dimensional S = 1/2 XY model (or, equivalently, hard-core bosons at half filling) which in addition to the standard pair interaction J includes a four-site term K that flips spins on a square plaquette. The model has three ordered ground state phases; for K/J approximately < or = 8 it has long-range xy spin order (superfluid bosons), for K/J approximately > or = 15 it has staggered spin order in the z direction (charge-density wave), and between these phases it is in a state with columnar order in the bond and plaquette energy densities. We discuss an implementation of directed-loop updates for the SSE simulations of this model and also introduce a "multibranch" cluster update which significantly reduces the autocorrelation times for large K/J. In addition to the pure J-K model, which in the z basis has only off-diagonal terms, we also discuss modifications of the algorithm needed when various diagonal interactions are included.
High-order ring-exchange interactions are crucial for the study of quantum fluctuations on many highly frustrated systems. A versatile and efficient quantum Monte Carlo method, which can handle finite and essentially zero temperature and canonical and grand-canonical ensembles, has long been sought. In this paper, we present an exact quantum Monte Carlo study of a model of hard-core bosons with sixth-order ring-exchange interactions on a two-dimensional kagome lattice. By using the stochastic Green function algorithm with global space-time update, we show that the system becomes unstable in the limit of large ring-exchange interactions. It undergoes a phase separation at all fillings, except at
31 and
32 fillings for which the superfluid density vanishes and an unusual mixed valence bond and charge density ordered solid is formed. This explains the universal features seen in previous studies on various different models, such as the transverse-field Ising models, on a kagome lattice near the classical limit.
We study a model for interacting spinless bosons in one dimension. The bosons are under a hard-core condition, which does not allow two or more bosons in the same site. However, nearestneighbor interactions between bosons ( V ) and hoppings to the nearest empty site ( t ) are allowed. As V increases from a large negative value, the system undergoes a quantum phase transition from a phase-separation (PS) phase to a superfluid (SF) phase because the hopping term overcomes the attractive energy. When V becomes positive and is increased more, the superfluid phase becomes a charge-density-wave (CDW) phase because the repulsive energy blocks the movements of bosons. Via exact diagonalizations, we calculated the ground-state energies, the correlation energies, and the kinetic energies to obtain signatures of the quantum phase transitions. We adopted a fast stateseeking algorithm that enabled us to calculate the ground states and the ground-state energies up to L = 32 more efficiently. Some results are compared with those of quantum Monte Carlo simulations by using stochastic series expansion for the Heisenberg point, and the momentum distribution functions for the three phases are discussed.
The stochastic series expansion (SSE) quantum Monte Carlo method with directed loops is very efficient for spin and boson systems. The Heisenberg model and its generalizations, such as the
JQ2 model, are extensively simulated via this method. When introducing magnetic field in these models, the SSE method always combines the field with the diagonal part of the Heisenberg interactions (
SizSjz) and take them as the new diagonal operators. In general, this treatment is reasonable. However, when studying Hamiltonians, which have other interactions or even do not contain the Heisenberg interactions, this general treatment will not be efficient or even not work. We suggest that when doing directed-loop simulations, the magnetic field can be put into other interactions. This treatment, in some cases, improves the simulation efficiency. Using the
JQ2 model with magnetic field as an example, we here demonstrate this SSE method. Such treatment significantly improves the efficiency when the
Q2 interactions are large. The autocorrelations are reduced a lot compared to the previous approach. In addition, we argue that we can divide the magnetic field into two parts and combine them with both the
J and
Q operators respectively. This treatment also improves the simulation efficiency. The underlying mechanism is that these two SSE methods can utilize the main part or even all part of operators in operator products to do the directed-loop updates. Such idea can also be applied to other models with magnetic field and it will speed up the simulations.
The stochastic series expansion (SSE) algorithm is one of the most powerful quantum Monte Carlo methods and has been extensively applied to the study of quantum many body systems. Its efficiency is particularly enhanced with a deterministic loop update scheme in the study of the S=1/2 quantum spin systems that preserve SU(2) spin rotational symmetry. Once the symmetry is broken, such as by an external field, a directed loop method is typically required, resulting in a significant reduction in efficiency. Inspired by the SSE approach developed for the quantum Ising model, we introduce a deterministic loop SSE method that is particularly suited for antiferromagnetic systems under a staggered magnetic field. This method enables separate investigations of longitudinal and transverse modes in magnetically ordered phases arising from spontaneous symmetry breaking. We benchmark the performance of our algorithm against the standard directed loop approach applied to the antiferromagnetic Heisenberg chain and demonstrate that our method substantially reduces CPU time per Monte Carlo step, thereby can outperform the directed loop algorithm in efficiency.
We have used the stochastic series expansion quantum Monte Carlo method to study interacting hard-core bosons on the square lattice with pair-hopping processes supplementing the standard single-particle hopping. Such pair hopping arises in effective models for frustrated quantum magnets. Our goal is to investigate the effects of the pair-hopping process on the commonly observed superfluid, insulating (Mott), and supersolid ground-state phases in the standard hard-core boson model with various interaction terms. The model is specifically motivated by the observation of finite dispersion of two-magnon bound states in neutron-diffraction experiments
SrCu2(BO3)2. Our results show that the pair hopping has different effects on Mott phases at different filling fractions, ``melting'' them at different critical pair-hopping amplitudes. Thus, it appears that pair hopping may play an important role in determining which out of a potentially large number of Mott phases (stabilized by details of the charge-diagonal interaction terms) actually survive the totality of quantum fluctuations present.