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Phys. Rev. A 78, 013201 (2008) [4 pages]

Dynamical effects of confinement on atomic valence photoionization in Mg@C60

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Himadri S. Chakraborty1, Mohamed E. Madjet2, Jan-M. Rost3, and Steven T. Manson4
1Department of Chemistry and Physics, Northwest Missouri State University, Maryville, Missouri 64468, USA
2Freie Universität, Institut für Chemie (Kristallographie), Takustrasse 6, D-14195 Berlin, Germany
3Max-Planck-Institut für Physik Komplexer Systeme, Nöthnitzer Strasse 38, D-01187 Dresden, Germany
4Department Physics and Astronomy, Georgia State University, Atlanta, Georgia 30303, USA

Received 25 March 2008; published 15 July 2008

We predict a huge dynamical boost from collective electron motion on the valence 3s photoionization of Mg in the Mg@C60 molecule. Calculations have been performed in a framework of time-dependent local density approximation that includes coupling between dipole-allowed final state channels. Our results qualitatively agree with the recent predictions of a semiclassical model, however, significantly differing in magnitude. In particular, a strong dependence on the nature of the caged atom is found which is at odds with the prediction of the semiclassical result.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.78.013201
DOI:
10.1103/PhysRevA.78.013201
PACS:
61.48.−c, 33.80.Eh, 36.40.Cg