Discrete-basis-set method for electron-molecule continuum wave functions
Journal Article
·
· Phys. Rev., A; (United States)
We present a method for calculating the continuum wave function in electron-molecule scattering for an N x 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/sup -/-H/sub 2/ scattering in the static-exchange approximation are in good agreement with other accurate calculations.
- Research Organization:
- Arthur Amos Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125
- OSTI ID:
- 6853564
- Journal Information:
- Phys. Rev., A; (United States), Journal Name: Phys. Rev., A; (United States) Vol. 18:5; ISSN PLRAA
- Country of Publication:
- United States
- Language:
- English
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