High-energy non-Franck-Condon vibrational excitation of CH4 by intramolecular photoelectron diffraction
Entity
UAM. Departamento de QuímicaPublisher
IOP Publishing Ltd.; Elsevier B.V.Date
2012-12-11Citation
10.1088/1742-6596/388/2/022058
Journal of Physics: Conference Series 388.2 (2012): 022058
ISSN
1742-6588 (print); 1742-6596 (online)DOI
10.1088/1742-6596/388/2/022058Editor's Version
http://dx.doi.org/10.1088/1742-6596/388/2/022058Subjects
QuímicaRights
© Published under licence by IOP Publishing Ltd.; © Copyright 2012 Elsevier B.V.Abstract
Distinct oscillations in vibrationally resolved cross section ratios for the photoionization of CH4 from the C 1s orbital at photon energies as high as 1keV are predicted. The oscillations are attributed to the different relative vibrational excitation due to the scattering of the photoelectron by the peripheral hydrogen atoms. The latter effect is also responsible for the well known EXAFS oscillations in the integrated photoelectron spectrum. The calculations are performed with an ab-initio DFT method [1], as well as with a single-particle semi-analytical model, which incorporate both the effect of the nuclear recoil and of the Coulomb corrections
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Google Scholar:Argenti, Luca
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Plésiat, Etienne
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Kukk, Edwin
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Ueda, Kiyoshi
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Decleva, Piero
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Martín García, Fernando
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