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Physical review. B./Physical review. B

Suppressing the entanglement growth in matrix product state evolution of quantum systems through nonunitary similarity transformations

Hanggai Nuomin, Feng-Feng Song, David N. Beratan, Peng Zhang

Published Sep 20, 2022• 4 citations
Publisher

Abstract

In strong-coupling regimes, quantum dynamical effects can alter conventional physics described by perturbation theories, but the dynamical simulations of these quantum systems using matrix product states---such as multilevel vibronic systems that are relevant to energy and electron transfer reactions---suffer from rapid entanglement growth during their real-time evolution, impeding explorations of spectra, dynamics, and kinetics. We examine the possibility of using nonunitary transformations to alter dynamical entanglement growth in matrix-product-state simulations of quantum systems, using the spin-boson model to showcase the reduced entanglement. By appropriately choosing the transformation, the entanglement growth rate is suppressed, improving the efficiency of quantum dynamical simulations. Entanglement control is achieved by the transformation-induced biased transitions among the system quantum states, and by ``projecting'' (approximately) the system quantum state to one of the eigenstates of the system-bath coupling operator, thus controlling the energy exchange between the system and the bath. The transformation can be applied to quantum many-body systems, including spin chains and multilevel vibronic systems; the approach improves the numerical efficiency of the matrix product state simulations.

DOI
10.1103/physrevb.106.104306

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In strong-coupling regimes, quantum dynamical effects can alter conventional physics described by perturbation theories, but the dynamical simulations of these quantum systems using matrix product states---such as multilevel vibronic systems that are relevant to energy and electron transfer reactions---suffer from rapid entanglement growth during their real-time evolution, impeding explorations of spectra, dynamics, and kinetics. We examine the possibility of using nonunitary transformations to alter dynamical entanglement growth in matrix-product-state simulations of quantum systems, using the spin-boson model to showcase the reduced entanglement. By appropriately choosing the transformation, the entanglement growth rate is suppressed, improving the efficiency of quantum dynamical simulations. Entanglement control is achieved by the transformation-induced biased transitions among the system quantum states, and by ``projecting'' (approximately) the system quantum state to one of the eigenstates of the system-bath coupling operator, thus controlling the energy exchange between the system and the bath. The transformation can be applied to quantum many-body systems, including spin chains and multilevel vibronic systems; the approach improves the numerical efficiency of the matrix product state simulations.
It is challenging to simulate open quantum systems that are connected to a reservoir through multiple channels. For example, vibrations may induce fluctuations in both energy gaps and electronic couplings, which represent two independent channels of system-bath couplings. Systems of this kind are ubiquitous in the processes of excited state radiationless decay. Combined with density matrix renormalization group (DMRG) and matrix product states (MPS) methods, we develop an interaction-picture chain mapping strategy for vibrational reservoirs to simulate the dynamics of these open systems, resulting in time-dependent spatially local system-bath couplings in the chain-mapped Hamiltonian. This transformation causes the entanglement generated by the system-bath interactions to be restricted within a narrow frequency window of vibrational modes, enabling efficient DMRG/MPS dynamical simulations. We demonstrate the utility of this approach by simulating singlet fission dynamics using a generalized spin-boson Hamiltonian with both diagonal and off-diagonal system-bath couplings. This approach generalizes an earlier interaction-picture chain mapping scheme, allowing for efficient and exact simulation of systems with multi-channel system-bath couplings using matrix product states, which may further our understanding of nonlocal exciton-phonon couplings in exciton transport and the non-Condon effect in energy and electron transfer.
Modeling open quantum systems -- quantum systems coupled to a bath -- is of value in condensed matter theory, cavity quantum electrodynamics, nanosciences and biophysics. The real-time simulation of open quantum systems was advanced significantly by the recent development of chain mapping techniques and the use of matrix product states that exploit the intrinsic entanglement structure in open quantum systems. The computational cost of simulating open quantum systems, however, remains high when the bath is excited to high-lying quantum states. We develop an approach to reduce the computational costs in such cases. The interaction representation for the open quantum system is used to distribute excitations among the bath degrees of freedom so that the occupation of each bath oscillator is ensured to be low. The interaction picture also causes the matrix dimensions to be much smaller in a matrix product state of a chain-mapped open quantum system than in the Schr\odinger picture. Using the interaction representation accelerates the calculations by 1-2 orders of magnitude over existing matrix-product-state method. In the regime of strong system-bath coupling and high temperatures, the speedup can be as large as 3 orders of magnitude. The approach developed here is especially promising to simulate the dynamics of open quantum systems in the high-temperature and strong-coupling regimes.
Modeling open quantum systems---quantum systems coupled to a bath---is of value in condensed-matter theory, cavity quantum electrodynamics, nanosciences, and biophysics. The real-time simulation of open quantum systems was advanced significantly by the recent development of chain mapping techniques and the use of matrix product states that exploit the intrinsic entanglement structure in open quantum systems. The computational cost of simulating open quantum systems, however, remains high when the bath is excited to high-lying quantum states. We develop an approach to reduce the computational costs in such cases. The interaction representation for the open quantum system is used to distribute excitations among the bath degrees of freedom so that the occupation of each bath oscillator is ensured to be low. The interaction picture also causes the matrix dimensions to be much smaller in a matrix product state of a chain-mapped open quantum system than in the Schr\"odinger picture. Using the interaction representation accelerates the calculations by one to two orders of magnitude over the existing matrix-product-state method. In the regime of strong system-bath coupling and high temperatures, the speedup can be as large as three orders of magnitude. The approach developed here is especially promising to simulate the dynamics of open quantum systems in high-temperature and strong-coupling regimes.
Quantum many-body devices suffer from imperfections that destabilize dynamics and limit scalability. We show that the dynamical growth of entanglement can intrinsically protect generic quantum dynamics against coherent and perturbative noise. Through rigorous theoretical analysis of general quantum dynamics and numerical simulations of spin chains and fermionic lattices, we prove that entanglement-entropy growth confines the influence of local Hamiltonian perturbations, thereby suppressing errors in dynamical errors. The degree of protection correlates quantitatively with the entanglement entropy of subsystems on which the perturbations act, and applies broadly to both analog quantum simulators and real-time control protocols. This entanglement-induced resilience is conceptually distinct from quantum error correction or dynamical decoupling: it passively leverages native many-body correlations without additional qubits, measurements, or control overhead. Our results reveal a generic mechanism linking entanglement growth to dynamical stability and provide practical guidelines for designing noise-resilient quantum devices.
We study the evolution of one-dimensional quantum lattice systems when the ground state is perturbed by altering one site in the middle of the chain. For a large class of models, we observe a similar pattern of entanglement growth during the evolution, characterized by a moderate increase of significant Schmidt coefficients in all relevant bipartite decompositions of the state. As a result, the evolution can be accurately described by a matrix product state and efficiently simulated using the time-evolving block decimation algorithm.