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Communications in Theoretical Physics

Path integral formalism of open quantum systems with non-diagonal system-bath coupling

Ruofan Chen

Published Jul 31, 2024• 2 citations
Publisher

Abstract

Abstract Most path integral expressions for quantum open systems are formulated with diagonal system-bath coupling, where the influence functional is a functional of scalar-valued trajectories. This formalism is enough if only a single bath is under consideration. However, when multiple baths are present, non-diagonal system-bath couplings need to be taken into consideration. In such a situation, using an abstract Liouvillian method, the influence functional can be obtained as a functional of operator-valued trajectories. The value of the influence functional itself also becomes a superoperator rather than an ordinary scalar, whose meaning is ambiguous at first glance and its connection to the conventional understanding of the influence functional needs extra careful consideration. In this article, we present another concrete derivation of the superoperator-valued influence functional based on the straightforward Trotter–Suzuki splitting, which can provide a clear picture to interpret the superoperator-valued influence functional.

DOI
10.1088/1572-9494/ad696b

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Abstract Most path integral expressions for quantum open systems are formulated with diagonal system-bath coupling, where the influence functional is a functional of scalar-valued trajectories. This formalism is enough if only a single bath is under consideration. However, when multiple baths are present, non-diagonal system-bath couplings need to be taken into consideration. In such a situation, using an abstract Liouvillian method, the influence functional can be obtained as a functional of operator-valued trajectories. The value of the influence functional itself also becomes a superoperator rather than an ordinary scalar, whose meaning is ambiguous at first glance and its connection to the conventional understanding of the influence functional needs extra careful consideration. In this article, we present another concrete derivation of the superoperator-valued influence functional based on the straightforward Trotter–Suzuki splitting, which can provide a clear picture to interpret the superoperator-valued influence functional.
The time-evolving matrix product operator (TEMPO) method is a powerful tool for simulating open system quantum dynamics. Typically, it is used in problems with diagonal system-bath coupling, where analytical expressions for discretized influence functional are available. In this work, we aim to address issues related to off-diagonal coupling by extending the TEMPO algorithm to accommodate arbitrary basis sets. The proposed approach is based on computing the derivative of the discretized path integral expression of a generalized influence functional when increasing one time step, which yields an equation of motion valid for non-diagonal basis set and arbitrary number of non-commuting baths. The generalized influence functional is then obtained by integrating the resulting differential equation. Applicability of the the new method is then tested by simulating one- and two- qubit systems coupled to both Z- and X-type baths.
Abstract The dynamics of quantum systems coupled to baths are typically studied using the Nakajima-Zwanzig memory kernel ( K{{{\bf{{{{\mathcal{K}}}}}}}}K K ) or the influence functions (I), particularly when memory effects are present. Despite their significance, formal connections between the two have not been explicitly known. We establish their connections by examining the system propagator for a N-level system linearly coupled to Gaussian baths with various types of system-bath coupling. For a certain class of problems, we devised a non-perturbative, diagrammatic approach to construct K{{{\bf{{{{\mathcal{K}}}}}}}}K K from I for (driven) systems interacting with Gaussian baths, bypassing conventional projection-free dynamics inputs. Our work provides a way to interpret approximate path integral methods in terms of approximate memory kernels. Moreover, it offers a Hamiltonian learning procedure to extract the bath spectral density from reduced system trajectories, opening new avenues in quantum sensing and engineering. The insights we provide advance our understanding of non-Markovian dynamics and will serve as a stepping stone for future theoretical and experimental developments in this area.
Dynamics of open quantum systems with structured reservoirs can often be simulated efficiently with tensor network influence functionals. The standard variants of the time-evolving matrix product operator (TEMPO) method are applicable when the systems is coupled to Gaussian bosonic baths via hermitian coupling operators that mutually commute. In this work we introduce a generalization to cases where the system is coupled to a single reservoir through multiple non-commuting operators, representing the most general form of linear system-bath coupling. We construct a Gaussian influence functional that properly handles Trotter errors arising from a finite evolution time step, thus ensuring convergence for long evolution times. Based on this result, the uniform TEMPO scheme can be employed to obtain a matrix product operator form of the influence functional, enabling efficient simulations of the real-time dynamics of the open system. As a demonstration, we simulate the time evolution of driven two-level emitters coupled to a bosonic lattice at different lattice sites.
Feynman path integrals offer a convenient and elegant tool for dealing with the statistical physics of quantum-mechanical systems. By using the Trotter product formula, one can evaluate directly the propagation of many-body quantum systems in imaginary time. The idea of an influence functional arises when one wishes to consider division of the physical system into a primary system and a bath. We present a general approach to the problem of constructing influence functionals, one that is capable of dealing both with Boltzmann baths (classical oscillators) and quantum baths of bosons or fermions. The fermion bath of special interest is generally a submanifold of the electronic state such as the bridge structure connecting chromophores or electron localization subunits which are common in problems of mixed valency and superexchange. The fermion bath is treated by a general rewriting of the influence phase S as a sum of an eigenvalue part SEV{S}_{\mathrm{EV}}SEV​ and a remainder, S0{S}^{0}S0, that describes transitions. Reduction of the original Hamiltonian leads to a reduced Hamiltonian with effective off-diagonal matrix elements and influence functionals which can include memory effects. We present a general formalism for construction of influence functionals, and discuss particular applications to systems of interest, especially in electronic-structure problems. The following paper presents a variational technique for finding effective Hamiltonians.
Quantum systems are typically subject to various environmental noise sources. Treating these environmental disturbances with a system-bath approach beyond weak coupling, one must refer to numerical methods as, for example, the numerically exact quasi-adiabatic path integral approach. This approach, however, cannot treat baths which couple to the system via operators, which do not commute. We extend the quasi-adiabatic path integral approach by determining the time discrete influence functional for such non-commuting fluctuations and by modifying the propagation scheme accordingly. We test the extended quasi-adiabatic path integral approach by determining the time evolution of a quantum two-level system coupled to two independent baths via non-commuting operators. We show that the convergent results can be obtained and agreement with the analytical weak coupling results is achieved in the respective limits.
Multitime system correlation functions are relevant in various areas of physics and science, dealing with system-bath interaction including spectroscopy and quantum optics, where many of these schemes include an off-diagonal system bath interaction. Here we extend the enhanced time-evolving matrix product operator (eTEMPO) algorithm for quantum path integrals using tensor networks [Phys. Rev. Lett. 123, 240602 (2019)PRLTAO0031-900710.1103/PhysRevLett.123.240602 to open quantum systems with off-diagonal coupling beyond a single two level system. We exemplify the approach on a coupled cavity waveguide system with spatially separated quantum two-state emitters, though many other applications in material science are possible, including entangled photon propagation, photosynthesis spectroscopy, and on-chip quantum optics with realistic dissipation.