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.
Annual Review of Physical Chemistry , author=
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An information-theoretic DII framework extracts low-dimensional nuclear modes governing conical intersection access and non-radiative decay from high-dimensional nonadiabatic dynamics simulations across multiple molecular systems.
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On the Symplectic Propagation of the Spin-MInt Algorithm for Non-Adiabatic Quantum Dynamics
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.
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Machine learning the non-radiative decay modes in photochemical processes
An information-theoretic DII framework extracts low-dimensional nuclear modes governing conical intersection access and non-radiative decay from high-dimensional nonadiabatic dynamics simulations across multiple molecular systems.