Coriolis coupling and nonadiabaticity in chemical reaction dynamics

✍ Scribed by Emilia L. Wu

• Publisher: John Wiley and Sons
• Year: 2010
• Tongue: English
• Weight: 204 KB
• Volume: 31
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/jcc.21577

✦ Synopsis

Abstract

The nonadiabatic quantum dynamics and Coriolis coupling effect in chemical reaction have been reviewed, with emphasis on recent progress in using the time‐dependent wave packet approach to study the Coriolis coupling and nonadiabatic effects, which was done by K. L. Han and his group. Several typical chemical reactions, for example, H+D~2~, F+H~2~/D~2~/HD, D^+^+H~2~, O+H~2~, and He+H~2~^+^, have been discussed. One can find that there is a significant role of Coriolis coupling in reaction dynamics for the ion‐molecule collisions of D^+^+H~2~, Ne+H, and He+H~2~^+^ in both adiabatic and nonadiabatic context. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010