DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Constructing tensor network influence functionals for general quantum dynamics

Journal Article · · Journal of Chemical Physics
DOI: https://doi.org/10.1063/5.0047260 · OSTI ID:1853072
ORCiD logo [1]; ORCiD logo [2]
  1. California Institute of Technology (CalTech), Pasadena, CA (United States); California Institute of Technology (CalTech), Pasadena, CA (United States)
  2. California Institute of Technology (CalTech), Pasadena, CA (United States)

Here, we describe an iterative formalism to compute influence functionals that describe the general quantum dynamics of a subsystem beyond the assumption of linear coupling to a quadratic bath. We use a space-time tensor network representation of the influence functional and investigate its approximability in terms of its bond dimension and time-like entanglement in the tensor network description. We study two numerical models, the spin-boson model and a model of interacting hard-core bosons in a 1D harmonic trap. We find that the influence functional and the intermediates involved in its construction can be efficiently approximated by low bond dimension tensor networks in certain dynamical regimes, which allows the quantum dynamics to be accurately computed for longer times than with direct time evolution methods. However, as one iteratively integrates out the bath, the correlations in the influence functional can first increase before decreasing, indicating that the final compressibility of the influence functional is achieved via non-trivial cancellation.

Research Organization:
California Institute of Technology (CalTech), Pasadena, CA (United States); Univ. of Florida, Gainesville, FL (United States)
Sponsoring Organization:
Center for Molecular Magnetic Quantum Materials; Google PhD fellowship; National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0019330
OSTI ID:
1853072
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 4 Vol. 155; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (54)

The theory of a general quantum system interacting with a linear dissipative system text January 1959
The Time-Convolutionless Projection Operator Technique in the Quantum Theory of Dissipation and Decoherence journal July 2001
The theory of a general quantum system interacting with a linear dissipative system journal October 1963
The density-matrix renormalization group in the age of matrix product states journal January 2011
Small Matrix Path Integral for System-Bath Dynamics journal June 2020
Time-Step Targeting Time-Dependent and Dynamical Density Matrix Renormalization Group Algorithms with ab Initio Hamiltonians journal October 2017
Real-Time Path Integral Methods, Quantum Master Equations, and Classical vs Quantum Memory journal November 2019
Exciton–Vibration Dynamics in J-Aggregates of a Perylene Bisimide from Real-Time Path Integral Calculations journal December 2020
Probing the relaxation towards equilibrium in an isolated strongly correlated one-dimensional Bose gas journal February 2012
Efficient non-Markovian quantum dynamics using time-evolving matrix product operators journal August 2018
Small matrix modular path integral: iterative quantum dynamics in space and time journal January 2021
A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system–bath coupling journal December 2003
Ensemble Method in the Theory of Irreversibility journal November 1960
Methods for Time Dependence in DMRG conference January 2006
Tensor propagator for iterative quantum time evolution of reduced density matrices. I. Theory journal March 1995
Iterative evaluation of the path integral for a system coupled to an anharmonic bath journal October 1999
Blip decomposition of the path integral: Exponential acceleration of real-time calculations on quantum dissipative systems journal October 2014
Generalized quantum master equations in and out of equilibrium: When can one win? journal May 2016
Inchworm Monte Carlo for exact non-adiabatic dynamics. I. Theory and algorithms journal February 2017
Communication: Modular path integral: Quantum dynamics via sequential necklace linking journal March 2018
On the memory kernel and the reduced system propagator journal September 2018
Modular path integral methodology for real-time quantum dynamics journal December 2018
Modular path integral for discrete systems with non-diagonal couplings journal August 2019
Small matrix disentanglement of the path integral: Overcoming the exponential tensor scaling with memory length journal January 2020
From coherent motion to localization: dynamics of the spin-boson model at zero temperature journal November 2008
Tensor network techniques for the computation of dynamical observables in one-dimensional quantum spin systems journal July 2012
Efficient simulation of non-Markovian system-environment interaction journal February 2016
Time evolution of Matrix Product States journal December 2006
Efficient real-time path integrals for non-Markovian spin-boson models journal September 2017
Time-dependent density-matrix renormalization-group using adaptive effective Hilbert spaces journal April 2004
Non-Markovian Dynamical Maps: Numerical Processing of Open Quantum Trajectories journal March 2014
Efficient Simulation of One-Dimensional Quantum Many-Body Systems journal July 2004
Influence Matrix Approach to Many-Body Floquet Dynamics journal May 2021
Variational study of hard-core bosons in a two-dimensional optical lattice using projected entangled pair states journal March 2007
Non-Markovian quantum processes: Complete framework and efficient characterization journal January 2018
Iterative real-time path integral approach to nonequilibrium quantum transport journal May 2008
Spectral functions in one-dimensional quantum systems at finite temperature using the density matrix renormalization group journal June 2009
Numerically exact path-integral simulation of nonequilibrium quantum transport and dissipation journal November 2010
Memory effects in nonequilibrium quantum impurity models journal August 2011
Unifying time evolution and optimization with matrix product states journal October 2016
Quantum dynamics of thermalizing systems journal January 2018
Matrix Product States for Dynamical Simulation of Infinite Chains journal June 2009
Finite-Temperature Dynamical Density Matrix Renormalization Group and the Drude Weight of Spin- 1 / 2 Chains journal May 2012
Taming the Dynamical Sign Problem in Real-Time Evolution of Quantum Many-Body Problems journal December 2015
Simulation Complexity of Open Quantum Dynamics: Connection with Tensor Networks journal April 2019
Exploiting the Causal Tensor Network Structure of Quantum Processes to Efficiently Simulate Non-Markovian Path Integrals journal December 2019
Machine Learning Non-Markovian Quantum Dynamics journal April 2020
Real-Time Evolution Using the Density Matrix Renormalization Group journal August 2004
Matrix Product Density Operators: Simulation of Finite-Temperature and Dissipative Systems journal November 2004
Mixed-State Dynamics in One-Dimensional Quantum Lattice Systems: A Time-Dependent Superoperator Renormalization Algorithm journal November 2004
Space-Time Approach to Non-Relativistic Quantum Mechanics journal April 1948
Dynamics of non-Markovian open quantum systems journal January 2017
On Quantum Theory of Transport Phenomena: Steady Diffusion journal December 1958
quimb: A python package for quantum information and many-body calculations journal September 2018