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Coriolis coupling and nonadiabaticity in chemical reaction dynamics
Author(s) -
Wu Emilia L.
Publication year - 2010
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.21577
Subject(s) - adiabatic process , coupling (piping) , context (archaeology) , wave packet , chemical reaction , chemistry , quantum chemical , vibronic coupling , reaction dynamics , quantum chemistry , molecule , computational chemistry , physics , chemical physics , atomic physics , quantum mechanics , materials science , organic chemistry , paleontology , supramolecular chemistry , metallurgy , biology
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 2 + , and He+H 2 + in both adiabatic and nonadiabatic context. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010