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Elastic scattering of low-energy electrons by benzene

Bettega, M. H. F. and Winstead, C. and McKoy, V. (2000) Elastic scattering of low-energy electrons by benzene. Journal of Chemical Physics, 112 (20). pp. 8806-8812. ISSN 0021-9606. doi:10.1063/1.481529.

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We present elastic cross sections obtained from ab initio calculations for low-energy electron scattering by benzene, C6H6. The calculations employed the Schwinger multichannel method as implemented for parallel computers within both the static-exchange and static-exchange-polarization approximations. We compare our results with other theoretical calculations and with available experimental data. In general, agreement is good.

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Additional Information:©2000 American Institute of Physics. (Received 2 December 1999; accepted 29 February 2000) M.H.F.B. acknowledges support from the Brazilian agency Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq). C.W. and V.M. acknowledge support from the Department of Energy, Office of Energy Research. The authors acknowledge use of the facilities of the Center for Advanced Computing Research (CACR) at the California Institute of Technology and the valuable assistance of CACR staff, in particular Heidi Lorenz-Wirzba, Sharon Brunett, and Cris Windoffer. The authors also thank Professor S. Buckman and Dr. R. J. Gulley for provision of their results. M.H.F.B. wishes to express his gratitude to Professor V. McKoy, Dr. C. Winstead, Dr. K. Wang, and Dr. C.-H. Lee for their friendship during his visit at the California Institute of Technology.
Subject Keywords:ELASTIC SCATTERING; BENZENE; ELECTRON-MOLECULE COLLISIONS; organic compounds; molecule-electron collisions; ab initio calculations
Issue or Number:20
Record Number:CaltechAUTHORS:BETjcp00
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:8456
Deposited By: Archive Administrator
Deposited On:14 Aug 2007
Last Modified:08 Nov 2021 20:50

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