Abstract
Quasiclassical trajectory calculations of vibrational transition rates in Ar+H2 collisions have been carried out. A realistic potential energy surface has been used, and the rates are averaged over rotational-translational distributions at 4500°K. The same transition rates are calculated by eight distorted-wave-based theories which have been used by others for various applications. The present calculations provide a critical test of these theories, especially for high vibrational quantum numbers where data have been scarce. We also discuss dissociation rates, the rotational component of vibrational energy transfer, and a surprisal analysis of the vibrational transition rates.
Original language | English (US) |
---|---|
Pages (from-to) | 4304-4320 |
Number of pages | 17 |
Journal | The Journal of chemical physics |
Volume | 71 |
Issue number | 11 |
DOIs | |
State | Published - 1979 |