Keil, Mark and Kuppermann, Aron (1978) Scattering of thermal He beams by crossed atomic and molecular beams. I. Sensitivity of the elastic differential cross section to the interatomic potential. Journal of Chemical Physics, 69 (9). pp. 3917-3930. ISSN 0021-9606. doi:10.1063/1.437130. https://resolver.caltech.edu/CaltechAUTHORS:20120803-070731167
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Abstract
The ability of diffraction oscillations in atomic beam scattering experiments to uniquely determine interatomic potentials for highly quantal systems is examined. Assumed but realistic potentials are used to generate, by scattering calculations and incorporation of random errors, differential cross sections which are then treated as if they were ’’experimental’’ data. From these, attempts are made to recover the initial potential by varying the parameters of assumed mathematical forms different from the original one, until a best fit to the "experimental" results is obtained. It is found that the region of the interaction potential around the van der Waals minimum is accurately determined by the "measured" differential cross sections over a range of interatomic separations significantly wider than would be expected classically. It is also found, for collision energies at which the weakly repulsive wall is appreciably sampled, that the SPF–Dunham and double Morse–van der Waals types of potentials lead to accurate determinations of the interatomic potential, whereas many other mathematical forms do not. Analytical parameterizations most appropriate for obtaining accurate interatomic potentials from thermal DCS experiments, for a given highly quantal system, may depend on the collision energy used.
Item Type: | Article | |||||||||
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Additional Information: | © 1978 American Institute of Physics. Received 20 December 1977. Online Publication Date: 11 August 2008. This work was supported in part by a contract (No. EY-76-S-03-767) from the Department of Energy. Report Code: CALT-767P4-151. Work performed in partial fulfillment of the requirements for the Ph. D. in Chemistry at the California Institute of Technology. Contribution No. 5714. We wish to thank Ambassador College for generous use of its computing facilities. | |||||||||
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Subject Keywords: | INTERATOMIC FORCES, DIFFERENTIAL CROSS SECTIONS, ELASTIC SCATTERING, HELIUM, ARGON, ATOMIC BEAMS, CROSSED BEAMS, ATOM−ATOM COLLISIONS, ATOM−MOLECULE COLLISIONS, MOLECULAR BEAMS | |||||||||
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Issue or Number: | 9 | |||||||||
Classification Code: | PACS: 34.50.-s, 34.20.-b | |||||||||
DOI: | 10.1063/1.437130 | |||||||||
Record Number: | CaltechAUTHORS:20120803-070731167 | |||||||||
Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20120803-070731167 | |||||||||
Official Citation: | Scattering of thermal He beams by crossed atomic and molecular beams. I. Sensitivity of the elastic differential cross section to the interatomic potential Mark Keil and Aron Kuppermann J. Chem. Phys. 69, 3917 (1978); http://dx.doi.org/10.1063/1.437130 | |||||||||
Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
ID Code: | 32901 | |||||||||
Collection: | CaltechAUTHORS | |||||||||
Deposited By: | Ruth Sustaita | |||||||||
Deposited On: | 03 Aug 2012 15:52 | |||||||||
Last Modified: | 09 Nov 2021 21:30 |
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