We present contour maps of probability density I\*I\* for reactive compound-state resonances in two collinear reactions: H + FH -HF + H on a model low-barrier surface and H + Hz + Hz + H on the Porter-Karplus surface no. 2. The maps clearly show the Fermi-resonance schizoid character of the compound
β¦ LIBER β¦
Quantum hydrodynamics: Capturing a reactive scattering resonance
β Scribed by Derrickson, Sean W.; Bittner, Eric R.; Kendrick, Brian K.
- Book ID
- 118732907
- Publisher
- American Institute of Physics
- Year
- 2005
- Tongue
- English
- Weight
- 434 KB
- Volume
- 123
- Category
- Article
- ISSN
- 0021-9606
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## Abstract The adoption of evenly spaced grids in the soβcalled bond order coordinates for the calculation of diatomic eigenfunctions in reactive scattering problems is investigated. These grids (used here for the first time in reactive dynamics) sample the accessible space better than traditional