Condensed Matter


Chemical Reaction Paths in Classical Potentials

Authors: Asaf Farhi

Chemical reaction dynamics are usually tackled within the framework of Quantum Mechanics which can be computationally demanding. Here we suggest to use the energy-dependent Hamilton-Jacobi description with a classical reactive force field to obtain the most probable path. This may enable to calculate the reaction rate.

Comments: 2 Pages.

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Submission history

[v1] 2016-09-09 15:09:53

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