Vibrationally resolved K-shell photoionization cross sections of methane

• Authors: Etienne Plésiat , Piero Decleva , Fernando Martín
• Languages of publication: EN

Abstracts

EN

We use an extension of the static-exchange density functional theory (DFT) method, previously reported in [E. Plésiat et al., Phys. Rev. A 2, 023409 (2012), E. Plésiat, P. Decleva, F. Martín, 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 β parameters, even at high photon energies.

Keywords

EN

photoelectron spectroscopy; vibrationally resolved spectra; methane; quantum mechanical calculations

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2013
• Volume: 11
• Issue: 9
• Pages: 1157-1162

Dates

published

1 - 9 - 2013

online

24 - 11 - 2013

Contributors

author

Etienne Plésiat

• Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049, Madrid, Spain

author

Piero Decleva

author

Fernando Martín

• Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), Cantoblanco, 28049, Madrid, Spain

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Identifiers

DOI

10.2478/s11534-013-0318-x