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arXiv:cond-mat/0610210 · New Journal of Physics

Time evolution of Matrix Product States

Juan José García‐Ripoll

Published Dec 6, 2006• 151 citations
arXivHTMLPDF

Abstract

In this work, we develop several new simulation algorithms for one-dimensional (1D) many-body quantum mechanical systems combining the Matrix Product State variational ansatz (vMPS) with Taylor, Padé and Arnoldi approximations to the evolution operator. By comparing with previous techniques based on vMPS and Density Matrix Renormalization Group (DMRG), we demonstrate that the Arnoldi method is the best one, reaching extremely good accuracy with moderate resources. Finally, we apply this algorithm to studying how correlations are transferred from the atomic to the molecular cloud when crossing a Feschbach resonance with two-species hard-core bosons in a 1D optical lattice.

DOI
10.1088/1367-2630/8/12/305

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In this work, we develop several new simulation algorithms for one-dimensional (1D) many-body quantum mechanical systems combining the Matrix Product State variational ansatz (vMPS) with Taylor, Padé and Arnoldi approximations to the evolution operator. By comparing with previous techniques based on vMPS and Density Matrix Renormalization Group (DMRG), we demonstrate that the Arnoldi method is the best one, reaching extremely good accuracy with moderate resources. Finally, we apply this algorithm to studying how correlations are transferred from the atomic to the molecular cloud when crossing a Feschbach resonance with two-species hard-core bosons in a 1D optical lattice.
In this work we develop several new simulation algorithms for 1D many-body quantum mechanical systems combining the Matrix Product State variational ansatz with Taylor, Pade and Arnoldi approximations to the evolution operator. By comparing all methods with previous techniques based on Trotter decompositions we demonstrate that the Arnoldi method is the best one, reaching extremely good accuracy with moderate resources. Finally we apply this algorithm to studying the formation of molecules in an optical lattices when crossing a Feschbach resonance with a cloud of two-species hard-core bosons.
Combining the time-dependent variational principle (TDVP) algorithm with the parallelization scheme introduced by Stoudenmire and White for the density matrix renormalization group (DMRG), we present the first parallel matrix product state (MPS) algorithm capable of time evolving one-dimensional (1D) quantum lattice systems with long-range interactions. We benchmark the accuracy and performance of the algorithm by simulating quenches in the long-range Ising and XY models. We show that our code scales well up to 32 processes, with parallel efficiencies as high as 8686%86. Finally, we calculate the dynamical correlation function of a 201-site Heisenberg XXX spin chain with 1/r21/{r}^{2}1/r2 interactions, which is challenging to compute sequentially. These results pave the way for the application of tensor networks to increasingly complex many-body systems.
Theoretical understanding of strongly correlated systems in one spatial dimension has been greatly advanced by the density-matrix renormalization group (DMRG) algorithm, which is a variational approach using a class of entanglement-restricted states called matrix product states (MPSs). However, DMRG suffers from inherent accuracy restrictions when multiple states are involved due to multi-state targeting and also the approximate representation of the Hamiltonian and other operators. By formulating the variational approach of DMRG explicitly for MPSs one can avoid errors inherent in the multi-state targeting approach. Furthermore, by using the matrix product operator (MPO) formalism, one can exactly represent the Hamiltonian and other operators relevant for the calculation. The MPO approach allows one-dimensional (1D) Hamiltonians to be templated using a small set of finite state automaton rules without reference to the particular microscopic degrees of freedom. We present two algorithms which take advantage of these properties: eMPS to find excited states of 1D Hamiltonians and tMPS for the time evolution of a generic time-dependent 1D Hamiltonian. We properly account for time-ordering of the propagator such that the error does not depend on the rate of change of the Hamiltonian. Our algorithms are applicable to microscopic degrees of freedom of any variety, and do not require Hamiltonian-specialized implementation. We benchmark our algorithms with a case study of the Ising model, where the critical point is located using entanglement measures. We then study the dynamics of this model under a time-dependent quench of the transverse field through the critical point. Finally, we present studies of a dipolar, or long-range Ising model, again using entanglement measures to find the critical point and study the dynamics of a time-dependent quench through the critical point.
In this thesis, the numerical simulation of strongly-interacting many-body quantum-mechanical systems using matrix product states (MPS) is considered. Compared to classical systems, quantum many-body systems possess an exponentially enlarged number of degrees of freedom, significantly complicating a simulation on a classical computer. Matrix-Product-States are a novel representation of arbitrary quantum many-body states. Using quantum information theory, it is possible to show that Matrix-Product-States provide a polynomial-sized representation of one-dimensional quantum systems, thus allowing an efficient simulation of one-dimensional quantum system on classical computers. Matrix-Product-States form the conceptual framework of the density-matrix renormalization group (DMRG). Based upon this connection, deeper understanding of the density matrix renormalization group can be obtained. After a general introduction in the first chapter of this thesis, the second chapter deals with Matrix-Product-States, focusing on the development of fast and stable algorithms. It is possible to extend the Matrix-Product-States approach to be able to represent arbitrary operators, the so-called Matrix-Product-Operators, which allows a fast and flexible calculation of arbitrary expectation values. To obtain algorithms to efficiently calculate groundstates, the density-matrix renormalization group is reformulated using the Matrix-Product-States framework. Further, time-dependent problems are considered. Two different algorithms are presented, one based on a Trotter decomposition of the time-evolution operator, the other one on Krylov subspaces. Finally, the evaluation of dynamical spectral functions is discussed, and a correction vector-based method is presented. In the following chapters, the methods presented in the second chapter, are applied to a number of different physical problems. The third chapter deals with the existence of chiral phases in isotropic one-dimensional quantum spin systems. A preceding analytical study based on a mean-field approach indicated the possible existence of those phases in an isotopic Heisenberg model with a frustrating zig-zag interaction and a magnetic field. In this thesis, the existence of the chiral phases will be shown numerically by using Matrix-Product-States-based algorithms. A key effect of interacting one-dimensional quantum-mechanical many-body systems is the spin-charge separation. However, up to now only signs of the spin-charge separation have been observed in experiments. In the fourth chapter, we propose an experiment using ultracold atomic gases in optical lattices, which allows a well controlled observation of the spin-charge separation (of different hyperfine states of the ultracold atoms) with current state of the art experimental techniques. Ultracold atoms in optical lattices are well described by (Bose)-Hubbard models. In order to support this proposal, we present numerical results for realistic system parameters. Matrix-Product-States are an excellent tool for the simulation of one-dimensional quantum systems, however, they are not well suited for the simulation of higher dimensional systems. For strongly-correlated systems, for instance cuprates-based high-temperature superconductors, quantum fluctuations play an essential role. Classical mean-field theories neglect any kind of fluctuations, thus they are not suitable to describe strongly-correlated systems. The dynamical mean-field theory (DMFT) fully takes local quantum fluctuations into account but neglects any kind of spatial fluctuations. The many-body problem on the lattice is mapped onto an impurity problem, which needs to be solved self-consistently. In the last chapter of this thesis, Matrix-Product-States-based algorithms are used to solve the impurity problem of the dynamical mean-field theory. We present results for a Hubbard model on a one-dimensional lattice and on a Bethe lattice obtained by the dynamical mean-field and compare them with exact results.
We combine the density matrix renormalization group (DMRG) with matrix product state tangent space concepts to construct a variational algorithm for finding ground states of one-dimensional quantum lattices in the thermodynamic limit. A careful comparison of this variational uniform matrix product state algorithm (VUMPS) with infinite density matrix renormalization group (IDMRG) and with infinite time evolving block decimation (ITEBD) reveals substantial gains in convergence speed and precision. We also demonstrate that VUMPS works very efficiently for Hamiltonians with long-range interactions and also for the simulation of two-dimensional models on infinite cylinders. The new algorithm can be conveniently implemented as an extension of an already existing DMRG implementation.
In this paper recent substantial progress in applying the density-matrix renormalization-group (DMRG) to the simulation of the time-evolution of strongly correlated quantum systems in one dimension is reviewed. Various approaches to generating a time-evolution numerically are considered. The key focus of this review is on current strategies to circumvent the limitations of the quite small subspace well approximated by DMRG, by either enlarging or changing it as time evolves. All these approaches can be extended to the simulation of mixed, i.e. finite-temperature states. While this paper is phrased almost entirely in standard DMRG language, I finish by considering the alternative formulation of time-evolutions in the language of matrix product states which is less well-known but conceptually more powerful.