Published November 1, 1978
| public
Journal Article
Open
Discrete-basis-set method for electron-molecule continuum wave functions
- Creators
- Fliflet, Arne W.
- McKoy, Vincent
Chicago
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Abstract
We present a method for calculating the continuum wave function in electron-molecule scattering for an N×N discrete-basis-set representation of the potential. The method is based on the T-matrix method introduced by Rescigno, McCurdy, and McKoy. In this work, the wave function is used in a prescription for the variationally corrected partial-wave K matrix analogous to Kohn's variational formula for the scattering amplitude in three dimensions. Results presented for e--H2 scattering in the static-exchange approximation are in good agreement with other accurate calculations.
Additional Information
©1978 The American Physical Society. Received 20 March 1978. This research was supported by Grant No. CHE76-05167 from the National Science Foundation. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 5754.Files
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Additional details
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- Resolver ID
- CaltechAUTHORS:FLIpra78b
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