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arXiv:quant-ph/0208084 · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Stochastic unraveling of time-local quantum master equations beyond the Lindblad class

Ulrich Kleinekathöfer, Ivan Kondov, Michael Schreiber

Published Sep 3, 2002• 20 citations
arXivHTMLPDF

Abstract

A method for stochastic unraveling of general time-local quantum master equations (QME) which involve the reduced density operator at time t only is proposed. The present kind of jump algorithm enables a numerically efficient treatment of QMEs that are not of Lindblad form. So it opens large fields of application for stochastic methods. The unraveling can be achieved by allowing for trajectories with negative weight. We present results for the quantum Brownian motion and the Redfield QMEs as test examples. The algorithm can also unravel non-Markovian QMEs when they are in a time-local form like in the time-convolutionless formalism.

DOI
10.1103/physreve.66.037701

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The Journal of Chemical Physics•Oct 9, 2025•2 citations
A method for stochastic unraveling of general time-local quantum master equations (QME) which involve the reduced density operator at time t only is proposed. The present kind of jump algorithm enables a numerically efficient treatment of QMEs that are not of Lindblad form. So it opens large fields of application for stochastic methods. The unraveling can be achieved by allowing for trajectories with negative weight. We present results for the quantum Brownian motion and the Redfield QMEs as test examples. The algorithm can also unravel non-Markovian QMEs when they are in a time-local form like in the time-convolutionless formalism.
A method for stochastic unraveling of general time-local quantum master equations (QMEs) is proposed. The present kind of jump algorithm allows a numerically efficient treatment of QMEs which are not in Lindblad form, i.e. are not positive semidefinite by definition. The unraveling can be achieved by allowing for trajectories with negative weights. Such a property is necessary, e.g. to unravel the Redfield QME and to treat various related problems with high numerical efficiency. The method is successfully tested on the damped harmonic oscillator and on electron transfer models including one and two reaction coordinates. The obtained results are compared to those from a direct propagation of the reduced density matrix (RDM) as well as from the standard quantum jump method. Comparison of the numerical efficiency is performed considering both the population dynamics and the RDM in the Wigner phase space representation.
A method for stochastic unraveling of general time-local quantum master equations (QMEs) is proposed. The present kind of jump algorithm allows a numerically efficient treatment of QMEs which are not in Lindblad form, i.e., are not positive semidefinite by definition. The unraveling can be achieved by allowing for trajectories with negative weights. Such a property is necessary, e.g., to unravel the Redfield QME and to treat various related problems with high numerical efficiency. The method is successfully tested on the damped harmonic oscillator and on electron transfer models including one and two reaction coordinates. The obtained results are compared to those from a direct propagation of the reduced density matrix (RDM) as well as from the standard quantum jump method. Comparison of the numerical efficiency is performed considering both the population dynamics and the RDM in the Wigner phase space representation.
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.
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.
A generalization of the stochastic wave-function method to quantum master equations which are not in Lindblad form is developed. The proposed stochastic unraveling is based on a description of the reduced system in a doubled Hilbert space and it is shown that this method is capable of simulating quantum master equations with negative transition rates. Non-Markovian effects in the reduced systems dynamics can be treated within this approach by employing the time-convolutionless projection operator technique. This ansatz yields a systematic perturbative expansion of the reduced systems dynamics in the coupling strength. Several examples such as the damped Jaynes-Cummings model and the spontaneous decay of a two-level system into a photonic band gap are discussed. The power as well as the limitations of the method are demonstrated.
Strong coupling and environmental memory render many open quantum systems intractable to classical computation. To overcome this barrier, we present a variational quantum algorithm capable of solving generalized form time-local quantum master equations directly on noisy intermediate-scale quantum (NISQ) processors. Our approach combines four key innovations: (1) a pair-vector stochastic Schrödinger equation to unravel time-local quantum master equations, (2) deterministic evolution projected onto parameterized circuits via McLachlan's principle and stochastic jump implementation via singular-value decomposition, (3) using Hadamard tests circuits to measure the jump rates and the element of reduced density matrices, and (4) using no-evolution sampling to sample trajectories. The resulting protocol remains resilient under realistic hardware noise. We validate it on both classical simulators and a 66-qubit superconducting processor for solving the Redfield master equation and fourth-order time-local non-Markovian master equation and find that it can successfully capture key features of complex open quantum dynamics-including non-Markovian oscillations and strong-coupling effects. Our approach establishes a practical pathway toward scalable simulations of open quantum systems in the NISQ era.