Open quantum-classical systems: A hybrid MASH master equation
arXiv:2511.05282 · doi:10.1063/5.0311156
Abstract
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.
14 pages, 5 figures
References in corpus (16)
- Theory of the spin bath
- Perspective: Numerically "exact" approach to open quantum dynamics: The hierarchical equations of motion (HEOM)
- Quantum theory for electron spin decoherence induced by nuclear spin dynamics in semiconductor quantum computer architectures: Spectral diffusion of localized electron spins in the nuclear solid-state environment
- Generalized spin mapping for quantum-classical dynamics
- Spin-mapping approach for nonadiabatic molecular dynamics
- A mapping approach to surface hopping
- A Unified Theoretical Framework for Mapping Models for the Multi-State Hamiltonian
- On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics
- A multi-state mapping approach to surface hopping
- Linear and nonlinear spectroscopy from quantum master equations
- Unraveling current-induced dissociation mechanisms in single-molecule junctions
- Exciton dynamics from the mapping approach to surface hopping: Comparison with Förster and Redfield theories
- Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces
- A bosonic perspective on the classical mapping of fermionic quantum dynamics
- Time-reversible implementation of MASH for efficient nonadiabatic molecular dynamics
- Focused Sampling for Low-Cost and Accurate Ehrenfest Modeling of Cavity Quantum Electrodynamics