Fliflet, Arne W. and McKoy, Vincent (1978) Discrete-basis-set method for electron-molecule continuum wave functions. Physical Review A, 18 (5). pp. 2107-2114. ISSN 1050-2947. https://resolver.caltech.edu/CaltechAUTHORS:FLIpra78b
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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.
| Item Type: | Article | ||||||
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| 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. | ||||||
| Issue or Number: | 5 | ||||||
| Record Number: | CaltechAUTHORS:FLIpra78b | ||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:FLIpra78b | ||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
| ID Code: | 5420 | ||||||
| Collection: | CaltechAUTHORS | ||||||
| Deposited By: | Tony Diaz | ||||||
| Deposited On: | 17 Oct 2006 | ||||||
| Last Modified: | 02 Oct 2019 23:22 |
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