Nonadiabatic Dynamics with the Mapping Approach to Surface Hopping (MASH)
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Author / Producer
Date
2025-04
Publication Type
Review Article
ETH Bibliography
yes
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Abstract
The mapping approach to surface hopping (MASH) combines the rigor of quasiclassical mapping approaches with the pragmatism of surface hopping to obtain a practical trajectory-based method for simulating nonadiabatic dynamics in molecular systems. In this review, we outline the derivation of MASH, prove a number of important properties that ensure its reliability, and illustrate its accuracy for computing nonadiabatic rate constants as well as ultrafast photochemical dynamics.
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Publication status
published
Editor
Book title
Journal / series
Volume
76
Pages / Article No.
663 - 687
Publisher
Annual Reviews
Event
Edition / version
Methods
Software
Geographic location
Date collected
Date created
Subject
Nonadiabatic dynamics; Quantum-classical trajectories; Surface hopping; Photochemistry
Organisational unit
09602 - Richardson, Jeremy / Richardson, Jeremy