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Calculation of transition probabilities for collinear atom–diatom and diatom–diatom collisions with Lennard-Jones interaction

Gutschick, Vincent P. and McKoy, Vincent and Diestler, Dennis J. (1970) Calculation of transition probabilities for collinear atom–diatom and diatom–diatom collisions with Lennard-Jones interaction. Journal of Chemical Physics, 52 (9). pp. 4807-4817. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:GUTjcp70

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Abstract

Numerical integration of the close coupled scattering equations is performed to obtain vibrational transition probabilities for three models of the electronically adiabatic H2-H2 collision. All three models use a Lennard-Jones interaction potential between the nearest atoms in the collision partners. The results are analyzed for some insight into the vibrational excitation process, including the effects of anharmonicities in the molecular vibration and of the internal structure (or lack of it) in one of the molecules. Conclusions are drawn on the value of similar model calculations. Among them is the conclusion that the replacement of earlier and simpler models of the interaction potential by the Lennard-Jones potential adds very little realism for all the complication it introduces.


Item Type:Article
Additional Information:©1970 American Institute of Physics. Received 10 March 1969. One of us (D. D.) wishes to thank the California Institute of Technology for its hospitality. We would like to thank A. Wagner, N. W. Winter, and D. G. Truhlar of the California Institute of Technology for helpful discussions. We are particularly grateful to Merle E. Riley, presently at the Harvard College Observatory, for a thorough and helpful criticism of the manuscript and for other suggestions.
Record Number:CaltechAUTHORS:GUTjcp70
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:GUTjcp70
Alternative URL:http://dx.doi.org/10.1063/1.1673716
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:3928
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:19 Jul 2006
Last Modified:26 Dec 2012 08:56

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