Analysis and extension of a model for constraining zero‐point energy flow in classical trajectory simulations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.466648
Reference54 articles.
1. Phase space bottlenecks: A comparison of quantum and classical intramolecular dynamics for collinear OCS
2. Quasiclassical trajectory study of the n = 3 overtone state of benzene
3. General discussion
4. Comparison of semiclassical, quasiclassical, and exact quantum transition probabilities for the collinear H + H2 exchange reaction
5. Quantum mechanics in phase space: New approaches to the correspondence principle
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