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arXiv:quant-ph/0608057 · Physical Review E

Is the efficiency of classical simulations of quantum dynamics related to integrability?

Tomaž Prosen, Marko Žnidarič

Published Jan 11, 2007• 138 citations
arXivHTMLPDF

Abstract

Efficiency of time evolution of quantum observables, and thermal states of quenched Hamiltonians, is studied using time-dependent density-matrix renormalization group method in a family of generic quantum spin chains which undergo a transition from integrable to nonintegrable-quantum chaotic case as control parameters are varied. Quantum states (observables) are represented in terms of matrix-product operators with rank D(epsilon)(t), such that evolution of a long chain is accurate within fidelity error epsilon up to time t. We found that the rank generally increases exponentially D(epsilon)(t) proportional to exp(const t), unless the model system was integrable in which case we found polynomial increase.

DOI
10.1103/physreve.75.015202

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Efficiency of time evolution of quantum observables, and thermal states of quenched Hamiltonians, is studied using time-dependent density-matrix renormalization group method in a family of generic quantum spin chains which undergo a transition from integrable to nonintegrable-quantum chaotic case as control parameters are varied. Quantum states (observables) are represented in terms of matrix-product operators with rank D(epsilon)(t), such that evolution of a long chain is accurate within fidelity error epsilon up to time t. We found that the rank generally increases exponentially D(epsilon)(t) proportional to exp(const t), unless the model system was integrable in which case we found polynomial increase.
Time-dependent density matrix renormalization group method with a matrix product ansatz is employed for explicit computation of non-equilibrium steady state density operators of several integrable and non-integrable quantum spin chains, which are driven far from equilibrium by means of Markovian couplings to external baths at the two ends. It is argued that even though the time-evolution can not be simulated efficiently due to fast entanglement growth, the steady states in and out of equilibrium can be typically accurately approximated, so that chains of length of the order n ~ 100 are accessible. Our results are demonstrated by performing explicit simulations of steady states and calculations of energy/spin densities/currents in several problems of heat and spin transport in quantum spin chains. Previously conjectured relation between quantum chaos and normal transport is re-confirmed with high acurracy on much larger systems.
A time-dependent density matrix renormalization group method with a matrix product ansatz is employed for explicit computation of non-equilibrium steady state density operators of several integrable and non-integrable quantum spin chains, which are driven far from equilibrium by means of Markovian couplings to external baths at the two ends. It is argued that even though the time evolution cannot be simulated efficiently due to fast entanglement growth, the steady states in and out of equilibrium can be typically accurately approximated, with the result that chains of length of the order of n≈100 spins are accessible. Our results are demonstrated by performing explicit simulations of steady states and calculations of energy/spin densities/currents in several problems of heat and spin transport in quantum spin chains. A previously conjectured relation between quantum chaos and normal transport is re-confirmed with high accuracy for much larger systems.
We present a numerical method to simulate the time evolution, according to a generic Hamiltonian made of local interactions, of quantum spin chains and systems alike. The efficiency of the scheme depends on the amount of entanglement involved in the simulated evolution. Numerical analysis indicates that this method can be used, for instance, to efficiently compute time-dependent properties of low-energy dynamics in sufficiently regular but otherwise arbitrary one-dimensional quantum many-body systems. As by-products, we describe two alternatives to the density matrix renormalization group method.
A general relation is derived, which expresses the fidelity of quantum dynamics, measuring the stability of time evolution to small static variation in the Hamiltonian, in terms of ergodicity of an observable generating the perturbation as defined by its time correlation function. Fidelity for ergodic dynamics is predicted to decay exponentially on time scale proportional to delta(-2), delta approximately strength of perturbation, whereas faster, typically Gaussian decay on shorter time scale proportional delta(-1) is predicted for integrable, or generally nonergodic dynamics. This result needs the perturbation delta to be sufficiently small such that the fidelity decay time scale is larger than any (quantum) relaxation time, e.g., mixing time for mixing dynamics, or averaging time for nonergodic dynamics (or Ehrenfest time for wave packets in systems with chaotic classical limit). Our surprising predictions are demonstrated in a quantum Ising spin-(1/2) chain periodically kicked with a tilted magnetic field where we find finite parameter-space regions of nonergodic and nonintegrable motion in the thermodynamic limit.
Simulating quantum many-body systems (QMBS) is one of the long-standing, highly non-trivial challenges in condensed matter physics and quantum information due to the exponentially growing size of the system's Hilbert space. To date, tensor networks have been an essential tool for studying such quantum systems, owing to their ability to efficiently capture the entanglement properties of the systems they represent. One of the well-known tensor network architectures, namely matrix product states (MPS), is the standard method for simulating one-dimensional QMBS. Here, we propose a simple, yet efficient, method to augment the already available MPS algorithms to simulate the dynamics of time-dependent Hamiltonians with better accuracy and a faster convergence rate, giving a second-order convergence compared to the first-order convergence of the standard method. We apply our proposed method to simulate the dynamics of a chain of single spins associated with nitrogen-vacancy color centers in diamonds, which has potential applications for practical and scalable quantum technologies, and find that our method improves the average error for a system of few NV centers by a factor of about 1000 for moderate step sizes. Our work paves the way for efficient simulation of QMBS under the influence of time-dependent Hamiltonians.
Dynamical electronic- and vibrational-structure theories have received a growing interest in the past few years due to their ability to simulate spectra recorded with ultrafast experimental techniques. The exact time evolution of a molecular system can, in principle, be obtained from the time-dependent version of full configuration interaction. Such an approach is, however, limited to few-atom systems due to the exponential increase of its cost with the system dimension. In the present work, we overcome this unfavorable scaling by employing the time-dependent density matrix renormalization group (TD-DMRG) which parametrizes the time-dependent wave function as a matrix product state. The time-dependent Schrödinger equation is then integrated with a sweep-based algorithm, as in standard time-independent DMRG. Unlike other TD-DMRG approaches, the one presented here leads to a set of coupled equations that can be integrated exactly. The resulting theory enables us to study real- and imaginary-time evolutions of Hamiltonians comprising more than 20 degrees of freedom that are challenging for current state-of-the-art quantum dynamics algorithms. We apply our algorithm to the simulation of quantum dynamics of models of increasing complexity, ranging from simple excitonic Hamiltonians to more complex ab initio vibronic ones.