Published May 15, 1986
| Published
Journal Article
Open
Three-dimensional quantum mechanical reactive scattering using symmetrized hyperspherical coordinates
- Creators
- Kuppermann, Aron
- Hipes, Paul G.
Chicago
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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.
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.Attached Files
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Additional details
- Eprint ID
- 11453
- Resolver ID
- CaltechAUTHORS:KUPjcp86
- Air Force Office of Scientific Research (AFOSR)
- AFOSR-82-0341
- Department of Energy (DOE)
- DE-AS03-83ER13118
- Created
-
2008-09-08Created from EPrint's datestamp field
- Updated
-
2021-11-08Created from EPrint's last_modified field
- Other Numbering System Name
- Arthur Amos Noyes Laboratory of Chemical Physics
- Other Numbering System Identifier
- 7371