Studies of electron-molecule collisions on highly parallel computers
Journal Article
·
· Bulletin of the American Physical Society
OSTI ID:67867
- California Institute of Technology, Pasadena, CA (United States)
The authors report on results of their studies of the cross sections for collisions of low-energy electrons with polyatomic molecules. These results are obtained using a multichannel extension of Schwinger`s variational principle and an implementation of key steps of the associated computational procedure on distributed-memory parallel computers. After a brief discussion of some relevant aspects of the formulation and of their parallel implementation, the authors present results from recent studies of electronic excitation by electron impact in several polyatomic molecules, including SiH{sub 4}, CF{sub 3}Cl, (CH{sub 3}){sub 2}CO, p-C{sub 6}H{sub 4}O{sub 2}, and the C{sub 5}H{sub 6} isomer propellane.
- OSTI ID:
- 67867
- Report Number(s):
- CONF-9310400--
- Journal Information:
- Bulletin of the American Physical Society, Journal Name: Bulletin of the American Physical Society Journal Issue: 13 Vol. 38; ISSN BAPSA6; ISSN 0003-0503
- Country of Publication:
- United States
- Language:
- English
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