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Effect of the potential well on vibrational scattering and the validity of SSH theory

Wagner, Albert F. and McKoy, Vincent (1973) Effect of the potential well on vibrational scattering and the validity of SSH theory. Journal of Chemical Physics, 58 (12). pp. 5561-5569. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20120814-071720729

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Abstract

The vibrational de‐excitation probability, P_(10), is calculated quantum mechanically over a large energy range for models of three collision systems: O_2-O_2,Cl_2-Cl_2, and Br_2-Br_2. The vibrational de‐excitation cross section, σ_(10), is similarly calculated for the Cl_2-Cl_2 model. P_(10) and σ_(10) are obtained for the Lennard‐Jones intermolecular potential and three other "well‐less" potentials designed to duplicate the scattering of the Lennard‐Jones potential. The results emphasize the adiabatic nature of potentials with wells and indicate that the acceleration approximation for the effect of the well is not valid. The curves of P_(10) and σ_(10) as a function of initial translational energy are used to obtain exact collision numbers. These numbers are compared to the results of SSH theory. SSH theory is found to predict collision numbers with reasonable accuracy except at low temperatures. SSH theory is also not suitable for analyzing experimental collision numbers for the well depth potential parameter.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.1679180DOIUNSPECIFIED
http://jcp.aip.org/resource/1/jcpsa6/v58/i12/p5561_s1PublisherUNSPECIFIED
Additional Information:© 1973 The American Institute of Physics. Received 27 January 1972. Online Publication Date: 22 August 2003. Alfred P. Sloan Foundation Fellow. Contribution No. 4406.
Funders:
Funding AgencyGrant Number
Alfred P. Sloan FoundationUNSPECIFIED
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics4406
Record Number:CaltechAUTHORS:20120814-071720729
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20120814-071720729
Official Citation:Effect of the potential well on vibrational scattering and the validity of SSH theory Albert F. Wagner and Vincent McKoy J. Chem. Phys. 58, 5561 (1973); http://dx.doi.org/10.1063/1.1679180
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:33150
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:14 Aug 2012 15:37
Last Modified:26 Dec 2012 15:58

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