Test of Trajectory Surface Hopping Against Accurate Quantum Dynamics for an Electronically Nonadiabatic Chemical Reaction-Reference-Cited by-同舟云学术

Test of Trajectory Surface Hopping Against Accurate Quantum Dynamics for an Electronically Nonadiabatic Chemical Reaction

Published:1998-02-14 Issue:10 Volume:102 Page:1666-1673
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Topaler Maria S.¹,Allison Thomas C.¹,Schwenke David W.¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, and National Aeronautics Space Administration Ames Research Center, Mail Stop 230-3, Moffett Field, California 94035-1000

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9731922

Reference48 articles.

1. Collisions Involving Electronic Transitions

2. An exact trajectory surface hopping procedure: Comparison with exact quantal calculations

3. Validation of trajectory surface hopping methods against accurate quantum mechanical dynamics and semiclassical analysis of electronic-to-vibrational energy transfer

4. Trajectory‐surface‐hopping study of Na(3p 2P) +H2 → Na(3s 2S)+H2(v′, j′, θ)

5. The effect of a conical intersection on cross sections for collision‐induced dissociation

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