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Intramolecular Dynamics: Regular and Stochastic Vibrational States of Molecules

Marcus, R. A. (1980) Intramolecular Dynamics: Regular and Stochastic Vibrational States of Molecules. In: Horizons of Quantum Chemistry. Académie Internationale Des Sciences Moléculaires Quantiques / International Academy of Quantum Molecular Science. No.3. D. Reidel , Dordrecht, pp. 107-121. ISBN 9789027711052. https://resolver.caltech.edu/CaltechAUTHORS:20150624-102015286

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Abstract

The nature of molecular vibrational states at low and high energies has been studied both classically and quantum mechanically. At low energies the classical vibrational motion is highly "regular" (quasi-periodic) in the usual harmonic normal mode regime. Interestingly enough, it can still remain so when the motion is anharmonic. However, at high enough vibrational energies numerical calculations indicate that the classical mechanical motion usually becomes chaotic (frequently termed "stochastic") although still deterministic, of course. The corresponding quantum mechanical behavior is discussed using semi-classical ideas, and a method of calculating eigenvalues in the quasi-periodic regime is described. A definition of quantum stochasticity is proposed in terms of overlapping avoided crossings in quantum mechanical eigenvalue versus perturbation parameter plots. Some implications for phenomena such as intramolecular relaxation, spectra, unimolecular reactions, and infrared multiphoton dissociation of molecules are described.


Item Type:Book Section
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https://doi.org/10.1007/978-94-009-9027-2_10DOIArticle
https://rdcu.be/b5UjtPublisherFree ReadCube access
ORCID:
AuthorORCID
Marcus, R. A.0000-0001-6547-1469
Additional Information:© 1980 by D. Reidel Publishing Company. It is a pleasure to acknowledge the contributions of my coworkers, Drs. M. Tabor, D. M. Noid, M. L. Koszykowski, W.-K. Liu, and R. Ramaswamy and the support of this research by the National Science Foundation. I am particularly indebted to Dr. Tabor for his critical reading of the manuscript and for his very helpful advice. Contribution No. 6145 from the California Institute of Technology.
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Caltech Noyes Laboratory of Chemical Physics6145
Series Name: Académie Internationale Des Sciences Moléculaires Quantiques / International Academy of Quantum Molecular Science
Issue or Number:3
DOI:10.1007/978-94-009-9027-2_10
Record Number:CaltechAUTHORS:20150624-102015286
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20150624-102015286
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:58580
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:24 Jun 2015 17:32
Last Modified:10 Nov 2021 22:07

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