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Low-energy electron-impact excitation of the ã^3 B_(1u) (π→π∗) state of ethylene

Sun, Qiyan and Winstead, Carl and McKoy, Vincent and Lima, Marco A. P. (1992) Low-energy electron-impact excitation of the ã^3 B_(1u) (π→π∗) state of ethylene. Journal of Chemical Physics, 96 (5). pp. 3531-3535. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20151028-114735526

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Abstract

A two‐state close‐coupling calculation of electron‐impact excitation of ethylene to the ã ^3B_(1u) state (π→π*) is carried out using a version of the Schwinger multichannel method developed for distributed‐memory parallel computers. The calculated integral cross section shows a sharp rise at threshold, in agreement with available experimental data. The integral and differential cross sections are useful in understanding the mechanism of this excitation process and indicate the possible presence of a core‐excited shape resonance near threshold.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.461907DOIArticle
http://scitation.aip.org/content/aip/journal/jcp/96/5/10.1063/1.461907PublisherArticle
Additional Information:© 1992 American Institute of Physics. (Received 26 August 1991; accepted 18 November 1991) We thank Heidi Lorenz-Wirzba of the Caltech Concurrent Supercomputing Facility (CCSF) for technical assistance and Hong-Qiang Ding for assistance with aspects of the programming. Parallel computing resources were provided by the CCSF and the Concurrent Supercomputing Consortium. Portions of these calculations employed the facilities of the JPL/Caltech Supercomputing Project. Support by the Applied Mathematical Sciences Program of the Department of Energy, the Strategic Defense Initiative Organization through the Army Research Office, the National Science Foundation (Grant Nos. PHY-8901515, INT-8714948, and INT-9106425), and the Air Force Office of Scientific Research (Grant No. AFOSR-89-0132) is gratefully acknowledged.
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)UNSPECIFIED
Strategic Defense Initiative Organization (SDIO)UNSPECIFIED
Army Research Office (ARO)UNSPECIFIED
NSFPHY-8901515
NSFINT-8714948
NSFINT-9106425
Air Force Office of Scientific Research (AFOSR)AFOSR-89-0132
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics8501
Issue or Number:5
Record Number:CaltechAUTHORS:20151028-114735526
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20151028-114735526
Official Citation:Low‐energy electron‐impact excitation of the ã 3B1u(π→π*) state of ethylene Sun, Qiyan and Winstead, Carl and McKoy, Vincent and Lima, Marco A. P., The Journal of Chemical Physics, 96, 3531-3535 (1992), DOI:http://dx.doi.org/10.1063/1.461907
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61660
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:09 Nov 2015 18:22
Last Modified:03 Oct 2019 09:10

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