We report accurate benchmark 3D coupled channel calculations for total angular momentum J=0 for the reaction F+H2→HF+H using a realistic potential energy surface. The adiabatic basis functions are generated using the discrete variable representation method. The resulting reaction probabilities show what appear to be strong quantum resonance features as well as rapid changes in final rotational state distributions.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces