Abstract
We demonstrate that the Monte Carlo evaluation of a phase-space integral is a viable alternative to the more computationally expensive classical trajectory surface-hopping method for calculating unimolecular electronic predissociation rate constants. Rate constants for N 2O( 1Σ +)→N 2( 1Σ g ++O( 3P) calculated by classical trajectory surface-hopping and Monte Carlo phase-space theory methods are compared for angular momentum resolved microcanonical distributions.
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