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Phys. Rev. A 65, 052713 (2002) [8 pages]

Computing the exchange interaction in electron scattering from polyatomic molecules

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P. C̆arsky1, R. C̆urik1, F. A. Gianturco2,*, R. R. Lucchese3, and M. Polasek4
1J. Heyrowsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 18223 Prague 8, Czech Republic
2Department of Chemistry, The University of Rome, Cittá Universitaria, 00185 Rome, Italy
3Department of Chemistry, Texas A&M University, College Station, Texas 77843-3255
4Institute of Physics, Silesian University, Opava, Czech Republic

Received 23 October 2000; revised 21 November 2001; published 2 May 2002

The treatment of the exchange potential between the bound electrons of a polyatomic target and the continuum electron from the impinging beam employed in single-collision scattering experiments is considered by using different computational approaches. In the relevant experimental setup the impinging electron undergoes single scattering with the gaseous target molecule and only the elastic channel is being considered by the present calculations. The chosen example of the benzene molecule shows that the various modeling of the all-important exchange interaction yield good agreement with the existing experiments and suggest that they could be profitably employed to analyze elastic angular distributions from polyatomic targets of fairly high complexity and fairly large number of bound electrons.

© 2002 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.65.052713
DOI:
10.1103/PhysRevA.65.052713
PACS:
34.80.Bm, 33.20.-t

*Corresponding author. FAX: +39-6-49913305. Email address: FAGIANT@CASPUR.IT