Exact three-dimensional classical trajectories have been computed for bimolecular collisions of highly excited qausibound states of the hydrogen molecule with stable H2. The de-excitation cross sections obtained from an analysis of these trajectories were used in the computation of rate constants for the reaction H + H + M → H2 + M according to the resonance theory of recombination. The so-called "energy transfer" mechanism, as opposed to the "chaperon" mechanism, was shown to be dominant for the case of M = H2.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces