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

Topaler, Maria S.; Hack, Michael D.; Allison, Thomas C.; Yi-Ping Liu; Mielke, Steven L.; Schwenke, David W.; Truhlar, Donald G.
June 1997
Journal of Chemical Physics;6/1/1997, Vol. 106 Issue 21, p8699
Academic Journal
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.


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