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.

Vibrationally resolved K-shell photoionization cross sections of methane

DECLEVA, PIETRO;
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.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11368/2769566
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