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A partially linearized mapping approach to surface hopping (MASH-PLDM) for nonadiabatic dynamics and nonlinear spectroscopy

Obermeier, Jan et al.
arXiv (All) · Papers
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chemical-physicsquantum-physics
We derive a partially linearized version of the mapping approach to surface hopping (MASH) that provides a new method for simulating nonadiabatic dynamics in molecular systems. As in the original MASH formalism, trajectories travel on adiabatic surfaces with hops determined by the dynamics of a spin
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