Abstract
A new way to calculate probabilities for collision induced dissociation is proposed and tested. The method involves classical trajectories whose initial conditions are determined by a Wigner transform of the initial quantum state. The results are compared to accurate quantal calculations and are found to be more accurate than those calculated by the standard quasiclassical trajectory method, especially in the threshold region.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 5350-5355 |
| Number of pages | 6 |
| Journal | The Journal of chemical physics |
| Volume | 76 |
| Issue number | 11 |
| DOIs | |
| State | Published - 1981 |