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Semiclassical theory of intensities of vibrational fundamentals, overtones, and combination bands

Koszykowski, M. L. and Nold, D. W. and Marcus, R. A. (1982) Semiclassical theory of intensities of vibrational fundamentals, overtones, and combination bands. Journal of Physical Chemistry, 86 (12). pp. 2113-2117. ISSN 0022-3654 . http://resolver.caltech.edu/CaltechAUTHORS:20150624-092349300

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Abstract

Quantum mechanical and semiclassical results are compared for the spectrum of the Morse oscillator. When an average quantum number [(n + m)/2] trajectory is employed for an n → m transition, good agreement is obtained between the quantum and semiclassical intensities and between the frequencies, for the fundamental and the overtones studied. Spectra of nonrotating OCS in the quasiperiodic and chaotic regions are presented, and the intensities of a number of overtones and combination bands are calculated. Even very low intensity transitions are observed.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/j100209a001 DOIArticle
http://pubs.acs.org/doi/abs/10.1021/j100209a001PublisherArticle
Additional Information:© 1982 American Chemical Society. Received: September 2, 1981. The research was supported by the U.S. Department of Energy under contract W-7405-eng-26 with the Union Carbide Corp. (at Oak Ridge), the National Science Foundation (at California Institute of Technology), and the DOE (at Sandia National Laboratories).
Funders:
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Department of Energy (DOE)W-7405-eng-26
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Sandia National LaboratoriesUNSPECIFIED
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Caltech Arthur Amos Noyes Laboratory of Chemical Physics6518
Record Number:CaltechAUTHORS:20150624-092349300
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20150624-092349300
Official Citation:Semiclassical theory of intensities of vibrational fundamentals, overtones, and combination bands M. L. Koszykowski, D. W. Noid, and R. A. Marcus The Journal of Physical Chemistry 1982 86 (12), 2113-2117 DOI: 10.1021/j100209a001
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:58576
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:24 Jun 2015 16:41
Last Modified:24 Jun 2015 16:41

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