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physics.chem-ph2025
Non-adiabatic perturbation theory of the exact factorisation
Matisse Wei-Yuan Tu, E. K. U. Gross
We present a novel nonadiabatic perturbation theory (NAPT) for correlated systems of electrons and nuclei beyond the Born-Oppenheimer (BO) approximation. The essence of the method…
physics.chem-ph2025
Electronic decoherence along a single nuclear trajectory
Matisse Wei-Yuan Tu, E. K. U. Gross
We describe a novel approach to subsystem decoherence without the usual tracing-out of the environment. The subsystem of focus is described entirely by a pure state evolving non-un…