Abstract
We examine several methods of implementing the time-dependent Gaussian wave packet method of Heller for collinear atom-molecule collisions involving anharmonic vibrators. We show that reasonably accurate results can be obtained with a procedure involving uncoupled frozen Gaussians with phases evaluated along classical trajectories. Although this method is much more accurate than the standard quasiclassical trajectory method, it involves about the same computational effort.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 3123-3136 |
| Number of pages | 14 |
| Journal | The Journal of chemical physics |
| Volume | 80 |
| Issue number | 7 |
| DOIs | |
| State | Published - 1984 |
Bibliographical note
Copyright:Copyright 2017 Elsevier B.V., All rights reserved.
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