Published September 1, 1978
| public
Journal Article
Open
Variationally corrected discrete-basis-set calculation for electron-molecule scattering in the static-exchange approximation
- Creators
- Fliflet, Arne W.
- McKoy, Vincent
Chicago
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Abstract
We present a method for including a variational correction in the discrete-basis-set method for electron-molecule scattering introduced by Rescigno, McCurdy, and McKoy. Our prescription for variationally corrected partial-wave K-matrix elements is based on Kohn's formula for the variationally stable scattering amplitude in three dimensions. The method is applied to e--H2 scattering in the static-exchange approximation, and the effect of choosing different trial basis sets is shown. Our results are in good agreement with the results of other accurate calculations.
Additional Information
©1978 The American Physical Society. Received 26 July 1977. We thank D.A. Levin and M. Ma for helpful discussions. We thank Professor W.A. Goddard III, Professor H.P. Kelly, Dr. R.L. Chase, and G.R. Daum for the use of their computer programs in this calculation. This work was supported by a grant from the National Science Foundation.Files
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- Eprint ID
- 6975
- Resolver ID
- CaltechAUTHORS:FLIpra78c
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