The Spin-MInt algorithm is proven symplectic for general K electronic states via explicit verification of the condition MJM^T = J on the coadjoint orbit of the su(K) Lie-Poisson algebra.
Mannouch and Jeremy O
2 Pith papers cite this work. Polarity classification is still indexing.
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NATPS applies time-reversible MASH dynamics within the transition path sampling framework to efficiently generate ensembles of nonadiabatic reactive trajectories on a model system of coupled potential energy surfaces.
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NATPS: Nonadiabatic Transition Path Sampling Using Time-Reversible MASH Dynamics
NATPS applies time-reversible MASH dynamics within the transition path sampling framework to efficiently generate ensembles of nonadiabatic reactive trajectories on a model system of coupled potential energy surfaces.