https://enmd2076inhibitor.com/....interactions-in-betw
We current a novel means for the simulation of the vibration-induced autoionization dynamics in molecular anions when you look at the framework associated with the quantum-classical surface hopping approach. Classical trajectories starting from quantum preliminary problems are propagated on a quantum-mechanical prospective power area while allowing for autoionization through changes into discretized continuum says. These transitions are induced because of the couplings i
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