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Phys. Rev. A 72, 032711 (2005) [6 pages]

Young-type interference pattern in molecular inner-shell excitations by electron impact

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Mario Barbatti1,*, Alexandre B. Rocha2,†, and Carlos E. Bielschowsky2,‡
1Institute for Theoretical Chemistry, University of Vienna, Währingerstrasse 17, A-1090 Vienna, Austria
2Instituto de Química, Universidade Federal do Rio de Janeiro, CT, Bloco A, Cidade Universitária, Rio de Janeiro, RJ, 21945-970, Brazil

Received 18 May 2005; published 12 September 2005

Recently, Tyliszczak et al. J. Electron Spectrosc. Rel. Phenom. 114 93 (2001)] have observed oscillations in the generalized oscillator strength (GOS) profile of molecular inner-shell excitations by electron impact. In order to check the mechanism that gives rise to these oscillations, we have calculated GOS profiles for different inner-shell→Rydberg excitation processes in CO2 and butadiene. The comparison of the oscillations appearing in these ab initio results with a simple analytical model in which the interference term is explicit brings out very strong evidence favorable to the hypothesis that the observed oscillations in the GOS are due to Young-type quantum interference related to symmetry-equivalent atoms.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.72.032711
DOI:
10.1103/PhysRevA.72.032711
PACS:
34.80.Gs, 31.15.−p, 33.60.Fy

*Electronic address: mario.barbatti@univie.ac.at

Electronic address: rocha@iq.ufrj.br

Electronic address: biel@iq.ufrj.br