Kuppermann, Aron and Hipes, Paul G. (1986) Three-dimensional quantum mechanical reactive scattering using symmetrized hyperspherical coordinates. Journal of Chemical Physics, 84 (10). pp. 5962-5964. ISSN 0021-9606 http://resolver.caltech.edu/CaltechAUTHORS:KUPjcp86
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Abstract
We report here the first three-dimensional (3D) reactive scattering calculations using symmetrized hyper-spherical coordinates (SHC). They show that the 3D local hyper-spherical surface function basis set leads to a very efficient computational scheme which should permit accurate reactive scattering calculations to be performed for a significantly large number of systems than has heretofore been possible.
| Item Type: | Article | ||||||
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| Additional Information: | © 1986 American Institute of Physics. Received 20 February 1986; accepted 7 March 1986. Work supported in part by the U.S. Office of Scientific Research, Contract No. AFOSR-82-0341. Support from the U.S. Department of Energy, Grant No. DE-AS03-83ER13118 is also acknowledged. Work performed [by P.G.H.] in partial fulfillment of the requirements for the Ph.D. in Chemistry at the California Institute of Technology. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 7371. | ||||||
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| Subject Keywords: | MOLECULAR BEAMS, LASER RADIATION, SPECTROSCOPY, RESOLUTION, EXCITATION | ||||||
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| Record Number: | CaltechAUTHORS:KUPjcp86 | ||||||
| Persistent URL: | http://resolver.caltech.edu/CaltechAUTHORS:KUPjcp86 | ||||||
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| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
| ID Code: | 11453 | ||||||
| Collection: | CaltechAUTHORS | ||||||
| Deposited By: | Tony Diaz | ||||||
| Deposited On: | 08 Sep 2008 23:26 | ||||||
| Last Modified: | 26 Dec 2012 10:14 |
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