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arXiv:2310.02006 · Physics Letters A

Markovian master equations for quantum-classical hybrid systems

Alberto Barchielli

Published Nov 15, 2023• 9 citations
arXivHTMLPDF
DOI
10.1016/j.physleta.2023.129230

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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.
A concise and self-contained derivation of hybrid quantum-classical dynamics is given in terms of Markovian master equations. Many previously known results are rederived and revised and some of them are completed or corrected. Using a method as simple as possible, our goal is a brief introduction to the state of the art of hybrid dynamics, with a limited discussion of the implications for foundations and without discussion of further relevance in the measurement problem, quantum gravity, chemistry, numeric methods, etc. Hybrid dynamics is defined as a special case of composite quantum dynamics where the observables of one of the two subsystems are restricted to the commuting set of diagonal operators in a fixed basis. With this restriction, the derivation of hybrid dynamical equations is clear conceptually and simple technically. Jump and diffusive dynamics follow in the form of hybrid master equations. Their stochastic interpretation (called unravelings) is derived. We discuss gauge-type ambiguities, problems of uniqueness, and covariance of the diffusive master equation. Also conditions of minimum noise and of monitoring the quantum trajectory are derived. We conclude that the hybrid formalism is equivalent to the standard Markovian theory of time-continuous quantum measurement (monitoring) on the one hand and is a motivating alternative formalism on the other.