Data di Pubblicazione:
2013
Abstract:
We use an extension of the static-exchange density functional theory (DFT) method, previously reported in [E. Pl,siat et al., Phys. Rev. A 2, 023409 (2012), E. Pl,siat, P. Decleva, F. Martin, Phys. Chem. Chem. Phys. 31, 10853 (2012)], to evaluate vibrationally resolved (total and angular) K-shell photoelectron cross sections of methane. The calculated cross sections are in very good agreement with the existing experimental measurements at low photoelectron energies. We show that, in contrast with the rich interference patterns previously observed in molecular frame C(1s) photoelectron angular distributions of methane at both low and high photoelectron energy, no interference effects are observed in the calculated beta parameters, even at high photon energies.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
photoelectron spectroscopy; vibrationally resolved spectra; methane; quantum mechanical calculations
Elenco autori:
Decleva, Pietro
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