Affordable Access

Publisher Website

Pattern prediction in collinear atom-diatom trajectories

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
69
Issue
2
Identifiers
DOI: 10.1016/0009-2614(80)85058-5
Disciplines
  • Chemistry
  • Mathematics

Abstract

Abstract The final states of large atom-diatom trajectory ensembles are predicted, usually without integration, by comparing them to a small set of training trajectories Trajectories are numerically integrated only if the stochastic impulse exceeds a minimum value. The technique is applied to three chemical reactions. The accuracy is excellent in all cases.

There are no comments yet on this publication. Be the first to share your thoughts.