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Time evolution of matrix product operators in the Heisenberg picture

Jarno N. van der Kolk

Published Jan 1, 2011• 0 citations
OpenAlex

Abstract

Using the Density Matrix Renormalization Group (DMRG) one can simulate spin systems without the computation time growing as 2 , making it feasible to simulate large systems. In this paper, the impact of using the DMRG in the Schrodinger picture and in the Heisenberg picture is investigated for three different models, a spin1 2 XX chain, a spin1 2 XXZ chain and a Bose-Hubbard model. Simulations in the Heisenberg model will turn out to perform better only in the XX chain for certain operators. For all the other tested models, the Schrodinger picture is to be preferred. We will also try to shed some light on why the simulations in the Heisenberg picture fail so quickly.

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Using the Density Matrix Renormalization Group (DMRG) one can simulate spin systems without the computation time growing as 2 , making it feasible to simulate large systems. In this paper, the impact of using the DMRG in the Schrodinger picture and in the Heisenberg picture is investigated for three different models, a spin1 2 XX chain, a spin1 2 XXZ chain and a Bose-Hubbard model. Simulations in the Heisenberg model will turn out to perform better only in the XX chain for certain operators. For all the other tested models, the Schrodinger picture is to be preferred. We will also try to shed some light on why the simulations in the Heisenberg picture fail so quickly.
In recent work, Hartmann et al (2009 Phys. Rev. Lett. 102 057202) demonstrated that the classical simulation of the dynamics of open 1D quantum systems with matrix product algorithms can often be dramatically improved by performing time evolution in the Heisenberg picture. For a closed system this was exemplified by an exact matrix product operator (MPO) solution of the time-evolved creation operator of a quadratic fermi chain with a matrix dimension of just two. In this work, we show that this exact solution can be significantly generalized to include the case of an open quadratic fermi chain subjected to master equation evolution with Lindblad operators that are linear in the fermionic operators. Remarkably even in this open system the time evolution of operators continues to be described by MPOs with the same fixed dimension as that required by the solution of a coherent quadratic fermi chain for all times. Through the use of matrix product algorithms the dynamical behaviour of operators in this non-equilibrium open quantum system can be computed with a cost that is linear in the system size. We present some simple numerical examples that highlight how useful this might be for the more detailed study of open system dynamics. Given that Heisenberg picture simulations have been demonstrated to offer significant accuracy improvements for other open systems that are not exactly solvable, our work also provides further insight into how and why this advantage arises.
n recent work, Hartmann et al (2009 Phys. Rev. Lett. 102 057202) demonstrated that the classical simulation of the dynamics of open 1D quantum systems with matrix product algorithms can often be dramatically improved by performing time evolution in the Heisenberg picture. For a closed system this was exemplified by an exact matrix product operator (MPO) solution of the time-evolved creation operator of a quadratic fermi chain with a matrix dimension of just two. In this work, we show that this exact solution can be significantly generalized to include the case of an open quadratic fermi chain subjected to master equation evolution with Lindblad operators that are linear in the fermionic operators. Remarkably even in this open system the time evolution of operators continues to be described by MPOs with the same fixed dimension as that required by the solution of a coherent quadratic fermi chain for all times. Through the use of matrix product algorithms the dynamical behaviour of operators in this non-equilibrium open quantum system can be computed with a cost that is linear in the system size. We present some simple numerical examples that highlight how useful this might be for the more detailed study of open system dynamics. Given that Heisenberg picture simulations have been demonstrated to offer significant accuracy improvements for other open systems that are not exactly solvable, our work also provides further insight into how and why this advantage arises.
The numerical simulation of quantum many-body dynamics is typically limited by the linear growth of entanglement with time. Recently numerical studies have shown that for 1D Bethe-integrable models the simulation of local operators in the Heisenberg picture can be efficient. Using the spin-1/2 XX chain as generic example of an integrable model that can be mapped to free fermions, we provide a simple explanation for this. We show furthermore that the same reduction of complexity applies to operators that have a high-temperature autocorrelation function which decays slower than exponential, i.e., with a power law. Thus efficient simulability may already be implied by a single conservation law as we will illustrate numerically for the spin-1 XXZ model.
In some cases the state of a quantum system with a large number of subsystems can be approximated efficiently by the density-matrix renormalization group, which makes use of redundancies in the description of the state. Here we show that the achievable efficiency can be much better when performing density-matrix renormalization group calculations in the Heisenberg picture, as only the observable of interest but not the entire state is considered. In some nontrivial cases, this approach can even be exact for finite bond dimensions.
We study the ground-state phase diagram of the quantum spin-2 XXZ chain in the presence of on-site anisotropy using a matrix-product state based infinite-system density matrix renormalization group (iDMRG) algorithm. One of the interests in this system is in connecting the highly quantum-mechanical spin-1 phase diagram with the classical $S=\ensuremath{\infty}$ phase diagram. Several of the recent advances within DMRG make it possible to perform a detailed analysis of the whole phase diagram. We consider different types of on-site anisotropies, which allows us to establish the validity of the following statements: (1) the spin-2 model can be tuned into a phase, which is equivalent to the ``topologically nontrivial'' spin-1 Haldane phase, and (2) the spin-2 Haldane phase at the isotropic Heisenberg point is adiabatically connected to the ``trivial'' large-DDD phase, with a continuous change of the Hamiltonian parameters. Furthermore, we study the spin-3 XXZ chain to help explain the development of the classical phase diagram. We present details on how to use the iDMRG method to map out the phase diagram and include an extensive discussion of the numerical methods.
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.