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arXiv:2306.14876 · Physical Review Letters

Quantum Trajectories for Time-Local Non-Lindblad Master Equations

Tobias Becker, Ché Netzer, André Eckardt

Published Oct 17, 2023• 11 citations
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Abstract

For the efficient simulation of open quantum systems, we often use quantum jump trajectories given by pure states that evolve stochastically to unravel the dynamics of the underlying master equation. In the Markovian regime, when the dynamics is described by a Gorini-Kossakowski-Sudarshan-Lindblad (GKSL) master equation, this procedure is known as Monte Carlo wave function approach. However, beyond ultraweak system-bath coupling, the dynamics of the system is not described by an equation of GKSL type, but rather by the Redfield equation, which can be brought into pseudo-Lindblad form. Here, negative dissipation strengths prohibit the conventional approach. To overcome this problem, we propose a pseudo-Lindblad quantum trajectory (PLQT) unraveling. It does not require an effective extension of the state space, like other approaches, except for the addition of a single classical bit. We test the PLQT for the eternal non-Markovian master equation for a single qubit and an interacting Fermi-Hubbard chain coupled to a thermal bath and discuss its computational effort compared to solving the full master equation.

DOI
10.1103/physrevlett.131.160401

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For the efficient simulation of open quantum systems, we often use quantum jump trajectories given by pure states that evolve stochastically to unravel the dynamics of the underlying master equation. In the Markovian regime, when the dynamics is described by a Gorini-Kossakowski-Sudarshan-Lindblad (GKSL) master equation, this procedure is known as Monte Carlo wave function approach. However, beyond ultraweak system-bath coupling, the dynamics of the system is not described by an equation of GKSL type, but rather by the Redfield equation, which can be brought into pseudo-Lindblad form. Here, negative dissipation strengths prohibit the conventional approach. To overcome this problem, we propose a pseudo-Lindblad quantum trajectory (PLQT) unraveling. It does not require an effective extension of the state space, like other approaches, except for the addition of a single classical bit. We test the PLQT for the eternal non-Markovian master equation for a single qubit and an interacting Fermi-Hubbard chain coupled to a thermal bath and discuss its computational effort compared to solving the full master equation.
Stochastic unravelings provide a useful way to represent open quantum system dynamics in terms of pure state realizations, and have been widely studied both from a fundamental and from a computational point of view. They were initially formulated for Markovian dynamics described by the Gorini-Kossakowski-Sudarshan-Lindblad master equation. However, due to recent technological and experimental development, most physical relevant dynamics present temporal correlations beyond the Markov approximation. Such correlations cause decay rates to turn temporarily negative, thus requiring the generalization of stochastic unravelings from Markovian to non-Markovian scenarios. Indeed, many unraveling techniques have been introduced in this regime, and a comprehensive review of the different jump methods is currently missing. In this work, we provide an overview of widely used quantum jump unraveling techniques for non-Markovian systems and also discuss them in terms of their numerical efficiency, divisibility requirements, Hilbert space extension, and measurement interpretation.
Time-local quantum master equations that describe open quantum systems beyond the limit of ultraweak system-bath coupling are often not of Gorini-Kossakowski-Sudarshan-Lindblad (GKSL) form. Prominent examples are the Redfield equation approximating general open quantum systems and the Hu-Paz-Zhang equation precisely describing a damped harmonic oscillator. In this study, we demonstrate that not only the former but also the latter can be brought to pseudo-Lindblad form. This form features a dissipator resembling that of a GKSL equation, with the distinction that some of the terms have negative weights. Moreover, we systematically investigate transformations that leave the dissipator of pseudo-Lindblad equations unchanged, while changing the relative weight between its positive and negative terms. These can be used to minimize the weights of the negative terms, which is optimal both for the convergence of a recently developed quantum-trajectory unraveling of pseudo-Lindblad equations and the truncation of the negative terms to obtain a GKSL equation.
Master equations are one of the main avenues to study open quantum systems. When the master equation is of the Lindblad-Gorini-Kossakowski-Sudarshan form, its solution can be "unraveled in quantum trajectories" i.e., represented as an average over the realizations of a Markov process in the Hilbert space of the system. Quantum trajectories of this type are both an element of quantum measurement theory as well as a numerical tool for systems in large Hilbert spaces. We prove that general time-local and trace-preserving master equations also admit an unraveling in terms of a Markov process in the Hilbert space of the system. The crucial ingredient is to weigh averages by a probability pseudo-measure which we call the "influence martingale". The influence martingale satisfies a 1d stochastic differential equation enslaved to the ones governing the quantum trajectories. We thus extend the existing theory without increasing the computational complexity.
We propose a method which combines the quantum-classical mapping approach to surface hopping (MASH) with the dissipative quantum dynamics of the Lindblad master equation. Like conventional surface-hopping methods, our approach is based on classical trajectories coupled to the dynamics of a quantum subsystem. However, instead of evolving the subsystem wavefunction according to the time-dependent Schrödinger equation, we use stochastic quantum trajectories derived from secular Redfield theory. This enables the simulation of open quantum systems coupled simultaneously to Markovian quantum baths and anharmonic non-Markovian classical degrees of freedom. Applications to the spin--boson model and to the cavity-enhanced fluorescence of an electronically nonadiabatic molecule show excellent agreement with fully quantum-mechanical benchmarks.
Away from equilibrium, the properties of open quantum systems depend on the details of their environment. A microscopic derivation of a master equation (ME) is therefore crucial. Of particular interest are Lindblad-type equations, not only because they provide the most general class of Markovian MEs, but also since they are the starting point for efficient quantum trajectory simulations. Lindblad-type MEs are commonly derived from the Born-Markov-Redfield equation via a rotating-wave approximation (RWA). However the RWA is valid only for ultraweak system-bath coupling and often fails to accurately describe nonequilibrium processes. Here we derive an alternative Lindbladian approximation to the Redfield equation, which does not rely on ultraweak system-bath coupling. Applying it to an extended Hubbard model coupled to Ohmic baths, we show that, especially away from equilibrium, it provides a good approximation in large parameter regimes where the RWA fails.
The jump unraveling of a quantum master equation decomposes the dynamics of an open quantum system into abrupt jumps, interspersed by periods of coherent dynamics when no jumps occur. Such open quantum systems are ubiquitous in quantum optics and mesoscopic physics, hence the need for efficient techniques for their stochastic simulation. Numerical simulation techniques fall into two main categories. The first splits the evolution into small time steps and determines stochastically for each step if a jump occurs or not. The second, known as Monte Carlo wave-function simulation, is based on the reduction of the norm of an initially pure state in the conditional no-jump evolution. It exploits the fact that the purity of the state is preserved by the finest unraveling of the master equation. In this paper, we present an alternative method for the simulation of the quantum jump unraveling, inspired by the classical Gillespie algorithm. The method is particularly well suited for situations in which a large number of trajectories is required for relatively small systems. It allows for non-purity-preserving dynamics, such as the ones generated by partial monitoring and channel merging. We describe the algorithm in detail and discuss relevant limiting cases. To illustrate it, we include four example applications of increasing physical complexity and discuss the performance of the algorithm across regimes of interest for open quantum systems simulation. Publicly available implementations of our code are provided in julia and mathematica.