Combining classical reactive scattering and the time–energy uncertainty relation
Abstract
, 094114], is coupled with simple calculations of tunneling through adiabatic barriers in the parabolic limit. The resulting methods are then used to calculate the reaction probability for two model processes involving, respectively, long-lived and short-lived activated complexes. The agreement with quantum probabilities appears to be very good. Based on these results, the shapes of quantum probabilities are analysed from the classical dynamics and the time-energy uncertainty relation. The question of zero-point energy violation at the transition state is examined in light of the preceding results.
Fields of Study & Subjects
Advanced Electron Microscopy Techniques and Applications
Spectroscopy and Quantum Chemical Studies
Advanced Chemical Physics Studies
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 8
- Pages
- 5181–5193
- Publication date
- 1 January 2026
- Language
- EN