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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Published on: September 17, 2021

Intramolecular vibrational energy redistribution as state space diffusion: classical-quantum correspondence

Aravindan Semparithi1, Srihari Keshavamurthy

  • 1Department of Chemistry, Indian Institute of Technology, Kanpur, Uttar Pradesh 208016, India.

The Journal of Chemical Physics
|October 18, 2006
PubMed
Summary

We investigated intramolecular vibrational energy redistribution (IVR) in CDBrClF. An edge state showed a larger effective IVR dimension than an interior state due to inhomogeneous phase space.

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