The application of the finite-element method to electron-molecule collisions
Journal Article
·
· Bulletin of the American Physical Society
OSTI ID:281236
The finite-element method has been extended to solve the close-coupling equations for electron-neutral diatomic molecule collisions. The prolate spheroidal coordinate system, which allows an exact treatment of the nuclear cusp, is used. The placement of the elements in the inner region is chosen such that the target wave functions are adequately represented. The adaption of the target wave functions calculated using standard quantum chemistry codes, as well as extension of this method to include target polarization, multichannel scattering, and nonadiabatic nuclear effects will be discussed.
- OSTI ID:
- 281236
- Report Number(s):
- CONF-9305421--
- Journal Information:
- Bulletin of the American Physical Society, Journal Name: Bulletin of the American Physical Society Journal Issue: 3 Vol. 38; ISSN 0003-0503; ISSN BAPSA6
- Country of Publication:
- United States
- Language:
- English
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