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arXiv:2005.03177 · Physical Review A

Numerical linked cluster expansions for inhomogeneous systems

Johann Gan, Kaden R. A. Hazzard

Published Jul 17, 2020• 16 citations
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Abstract

We develop a numerical linked cluster expansion (NLCE) method that can be applied directly to inhomogeneous systems, for example, Hamiltonians with disorder and dynamics initiated from inhomogeneous initial states. We demonstrate the method by calculating dynamics for single-spin expectations and spin correlations in two-dimensional spin models on a square lattice, starting from a checkerboard state. We show that NLCE can give moderate to dramatic improvement over an exact diagonalization of comparable computational cost and that the advantage in computational resources grows exponentially as the size of the clusters included grows. Although the method applies to any type of NLCE, our explicit benchmarks use the rectangle expansion. Besides showing the capability to treat inhomogeneous systems, these benchmarks demonstrate the rectangle expansion's utility out of equilibrium.

DOI
10.1103/physreva.102.013318

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We develop a numerical linked cluster expansion (NLCE) method that can be applied directly to inhomogeneous systems, for example, Hamiltonians with disorder and dynamics initiated from inhomogeneous initial states. We demonstrate the method by calculating dynamics for single-spin expectations and spin correlations in two-dimensional spin models on a square lattice, starting from a checkerboard state. We show that NLCE can give moderate to dramatic improvement over an exact diagonalization of comparable computational cost and that the advantage in computational resources grows exponentially as the size of the clusters included grows. Although the method applies to any type of NLCE, our explicit benchmarks use the rectangle expansion. Besides showing the capability to treat inhomogeneous systems, these benchmarks demonstrate the rectangle expansion's utility out of equilibrium.
We show that numerical linked cluster expansions (NLCEs) based on sufficiently large building blocks allow one to obtain accurate low-temperature results for the thermodynamic properties of spin lattice models with continuous disorder distributions. Specifically, we show that such results can be obtained computing the disorder averages in the NLCE clusters before calculating their weights. We provide a proof of concept using three different NLCEs based on L, square, and rectangle building blocks. We consider both classical (Ising) and quantum (Heisenberg) spin-1/2 models and show that convergence can be achieved down to temperatures that are up to two orders of magnitude lower than the relevant energy scale in the model. Additionally, we provide evidence that in one dimension one can obtain accurate results for observables such as the energy down to their ground-state values.
We discuss the application of numerical linked cluster expansions (NLCEs) to study one dimensional lattice systems in thermal equilibrium and after quantum quenches from thermal equilibrium states. For the former, we calculate observables in the grand canonical ensemble, and for the latter we calculate observables in the diagonal ensemble. When converged, NLCEs provide results in the thermodynamic limit. We use two different NLCEs: a maximally connected expansion introduced in previous works and a site-based expansion. We compare the effectiveness of both NLCEs. The site-based NLCE is found to work best for systems in thermal equilibrium. However, in thermal equilibrium and after quantum quenches, the site-based NLCE can diverge when the maximally connected one converges. We relate this divergence to the exponentially large number of clusters in the site-based NLCE and the behavior of the weights of observables in those clusters. We discuss the effectiveness of resummations to cure the divergence. Our NLCE calculations are compared to exact diagonalization ones in lattices with periodic boundary conditions. NLCEs are found to outperform exact diagonalization in periodic systems for all quantities studied.
We demonstrate that numerical linked cluster expansions (NLCE) yield a powerful approach to calculate time-dependent correlation functions for quantum many-body systems in one dimension. As a paradigmatic example, we study the dynamics of the spin current in the spin-1/2XXZ1/2 XXZ1/2XXZ chain for different values of anisotropy, as well as in the presence of an integrability-breaking next-nearest neighbor interaction. For short to intermediate time scales, we unveil that NLCE yields a convergence towards the thermodynamic limit already for small cluster sizes, which is much faster than in direct calculations of the autocorrelation function for systems with open or periodic boundary conditions. Most importantly, we show that the range of accessible cluster sizes in NLCE can be extended by evaluating the contributions of larger clusters by means of a pure-state approach based on the concept of dynamical quantum typicality (DQT). Even for moderate computational effort, this combination of DQT and NLCE provides a competitive alternative to existing state-of-the-art techniques, which may be applied in higher dimensions as well.
We demonstrate that a numerical linked cluster expansion method is a powerful tool to calculate quantum dynamics. We calculate the dynamics of the magnetization and spin correlations in the two-dimensional transverse field Ising and XXZ models evolved from a product state. Such dynamics are directly probed in ongoing experiments in ultracold atoms, molecules, and ions. We show that a numerical linked cluster expansion gives dramatically more accurate results at short-to-moderate times than exact diagonalization, and simultaneously requires fewer computational resources. More specifically, the cluster expansion frequently produces more accurate results than an exact diagonalization calculation that would require 10510^{5}105--101010^{10}1010 more computational operations and memory.
Abstract We generalize the numerical linked-cluster expansion (NLCE) method to study the dissipative quantum many-body system. We apply the NLCE to the triangular strip and two-dimensional lattice system. We investigate the dynamics and steady-state properties of the dissipative XYZ model where the coherent dynamics is governed by the anisotropic Heisenberg Hamiltonian while the nonunitary process is induced by the incoherent spin flips. By comparing with the quantum trajectory simulations, the NLCE results show good performance in capturing the dynamics of system with short-range correlations. For strong and long-range correlated system, the larger size clusters in the series should be included. The NLCE study for the magnetic susceptibility also signals the steady-state paramagnetic-ferromagnetic phase transition in the two-dimensional case.
We use numerical linked cluster expansions (NLCEs) to study correlated lattice systems in one and two dimensions.For fermions in the honeycomb lattice, we study its finite-temperature properties and short-range spin correlations using NLCEs and determinantal quantum Monte Carlo (DQMC) simulations.For the homogeneous system, we analyze a number of thermodynamic quantities, including the entropy, the specific heat, uniform and staggered spin susceptibilities, short-range spin correlations, and the double occupancy at and away from half filling.Employing a local density approximation (LDA), we examine the viability of adiabatic cooling by increasing the interaction strength for homogeneous as well as for trapped systems.We also use NLCEs to study thermodynamic properties of the two-dimensional spin-1/2 Ising, XY, and Heisenberg models with bimodal random-bond disorder on the square and honeycomb lattices.In all cases, the nearest-neighbor coupling between the spins takes values ±J with equal probability.We obtain the disorder averaged (over all disorder configurations) energy, entropy, specific heat, and uniform magnetic susceptibility in each case.These results are compared with the corresponding ones in the clean models.Analytic expressions are obtained for low orders in the expansion of these thermodynamic quantities in inverse temperature.For many-body localization in disordered isolated systems, we study quantum quenches in the thermodynamic limit.By a quantum quench it is meant that the initial state is stationary with respect iii to an initial Hamiltonian, which is suddenly changed to a new (time-independent) Hamiltonian.The latter then drives the (unitary) dynamics of the system.We are interested in the time average of observables after relaxation following the quench, which can be computed under the so-called diagonal ensemble.