TITLE

Validation of trajectory surface hopping methods against accurate quantum mechanical dynamics and

AUTHOR(S)
Topaler, Maria S.; Hack, Michael D.; Allison, Thomas C.; Yi-Ping Liu; Mielke, Steven L.; Schwenke, David W.; Truhlar, Donald G.
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/1/1997, Vol. 106 Issue 21, p8699
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Tests the validity of the quasiclassical trajectory surface hopping method by comparison against accurate quantum dynamics calculations. Differences in the two versions of the method; Compatibility of quenching probabilities and final-state distributions; Demonstration of electronic coherence.
ACCESSION #
4283819

 

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