Chemical dynamics between wells across a time-dependent barrier: Self-similarity in the Lagrangian descriptor and reactive basins.
@article{Junginger2017ChemicalDB, title={Chemical dynamics between wells across a time-dependent barrier: Self-similarity in the Lagrangian descriptor and reactive basins.}, author={Andrej Junginger and Lennart Duvenbeck and Matthias Feldmaier and Jorg Main and G{\"u}nter Wunner and Rigoberto Hernandez}, journal={The Journal of chemical physics}, year={2017}, volume={147 6}, pages={ 064101 } }
In chemical or physical reaction dynamics, it is essential to distinguish precisely between reactants and products for all times. This task is especially demanding in time-dependent or driven systems because therein the dividing surface (DS) between these states often exhibits a nontrivial time-dependence. The so-called transition state (TS) trajectory has been seen to define a DS which is free of recrossings in a large number of one-dimensional reactions across time-dependent barriers and thus…
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