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Title: Pairwise connected tensor network representation of path integrals

Journal Article · · Physical Review. B

It has been recently shown how the tensorial nature of real-time path integrals (PIs) involving the Feynman-Vernon influence functional can be utilized with matrix product states, taking advantage of the finite length of the bath-induced memory. Tensor networks (TNs) promise to provide a unified language to express the structure of a PI. Here, a generalized TN specifically incorporating the pairwise interaction structure of the influence functional and its invariance with respect to the average forward-backward position or the sojourn value in the form of the blip representation is derived and implemented. This pairwise connected TNPI (PC-TNPI) is illustrated through applications to typical spin-boson problems and explorations of the differences caused by the exact form of the spectral density. The storage and performance scalings are reported, showing the compactness of the representation and the efficiency of the contraction process. Finally, taking advantage of the compressed representation, the viability of using PC-TNPI for simulating multistate problems is demonstrated. The PC-TNPI structure can be shown to yield other TN algorithms currently in use. Consequently, it should be possible to use it as a starting point for deriving other optimized procedures.

Research Organization:
Princeton Univ., NJ (United States)
Sponsoring Organization:
USDOE Office of Science (SC); Computational Chemical Center
Grant/Contract Number:
SC0019394
OSTI ID:
1979710
Alternate ID(s):
OSTI ID: 1994983
Journal Information:
Physical Review. B, Vol. 105, Issue 2; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (49)

Path integral approach to quantum Brownian motion journal September 1983
On Quantum Theory of Transport Phenomena journal April 1959
Quantum mechanical rate constants for bimolecular reactions journal November 1983
Class of Quantum Many-Body States That Can Be Efficiently Simulated journal September 2008
Quantum-classical path integral. II. Numerical methodology journal December 2012
Efficient non-Markovian quantum dynamics using time-evolving matrix product operators journal August 2018
Small matrix disentanglement of the path integral: Overcoming the exponential tensor scaling with memory length journal January 2020
Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics journal October 2017
Quantum-classical path integral. I. Classical memory and weak quantum nonlocality journal December 2012
Quantum simulation of the spin-boson model with a microwave circuit journal May 2018
Entanglement Renormalization journal November 2007
Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants journal September 1974
A practical introduction to tensor networks: Matrix product states and projected entangled pair states journal October 2014
Real-Time Evolution Using the Density Matrix Renormalization Group journal August 2004
Small Matrix Path Integral with Extended Memory journal December 2020
Density matrix formulation for quantum renormalization groups journal November 1992
Quantum‐classical path integral evaluation of reaction rates with a near‐equilibrium flux formulation journal February 2021
Iterative quantum-classical path integral with dynamically consistent state hopping journal January 2016
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets journal January 2000
The density-matrix renormalization group: a short introduction journal July 2011
Tensor propagator for iterative quantum time evolution of reduced density matrices. I. Theory journal March 1995
Quasi-adiabatic propagator path integral methods. Exact quantum rate constants for condensed phase reactions journal July 1993
Tensor propagator for iterative quantum time evolution of reduced density matrices. II. Numerical methodology journal March 1995
Quantum-Classical Path Integral with Self-Consistent Solvent-Driven Reference Propagators journal August 2013
Tensor-network-based machine learning of non-Markovian quantum processes journal December 2020
The density-matrix renormalization group in the age of matrix product states journal January 2011
Path integrals for dissipative systems by tensor multiplication. Condensed phase quantum dynamics for arbitrarily long time journal April 1994
Exploiting classical decoherence in dissipative quantum dynamics: Memory, phonon emission, and the blip sum journal February 2014
A multisite decomposition of the tensor network path integrals journal January 2022
Quantum rates for a double well coupled to a dissipative bath: Accurate path integral results and comparison with approximate theories journal November 1994
The density-matrix renormalization group journal April 2005
The Linear Response Approximation and Its Lowest Order Corrections:  An Influence Functional Approach journal April 1999
Small Matrix Path Integral for System-Bath Dynamics journal June 2020
Ensemble Method in the Theory of Irreversibility journal November 1960
Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex journal May 2016
Improved Feynman propagators on a grid and non-adiabatic corrections within the path integral framework journal June 1992
Multilayer formulation of the multiconfiguration time-dependent Hartree theory journal July 2003
Direct Computation of Influence Functional Coefficients from Numerical Correlation Functions journal August 2016
Quantum tunnelling in a dissipative system journal September 1983
Multilayer-MCTDH approach to the energy transfer dynamics in the LH2 antenna complex journal August 2017
Iterative blip-summed path integral for quantum dynamics in strongly dissipative environments journal April 2017
A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system–bath coupling journal December 2003
Quantum-classical path integral with a harmonic treatment of the back-reaction journal May 2019
The theory of a general quantum system interacting with a linear dissipative system journal October 1963
Path integral renormalization for quantum dissipative dynamics with multiple timescales journal May 2012
The time-dependent density matrix renormalisation group method journal November 2017
Blip decomposition of the path integral: Exponential acceleration of real-time calculations on quantum dissipative systems journal October 2014
Efficient Exploration of Hamiltonian Parameter Space for Optimal Control of Non-Markovian Open Quantum Systems journal May 2021
Memory propagator matrix for long-time dissipative charge transfer dynamics journal August 2012

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