O1s photoionization dynamics in oriented NO2 (Articolo in rivista)

Type
Label
  • O1s photoionization dynamics in oriented NO2 (Articolo in rivista) (literal)
Anno
  • 2011-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1063/1.3584202 (literal)
Alternative label
  • Stener, Mauro; Decleva, Piero; Yamazaki, Masakazu; Adachi, Jun-ichi; Yagishita, Akira (2011)
    O1s photoionization dynamics in oriented NO2
    in The Journal of chemical physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Stener, Mauro; Decleva, Piero; Yamazaki, Masakazu; Adachi, Jun-ichi; Yagishita, Akira (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 134 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 11 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 18 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • University of Trieste; Consorzio Interuniv Nazl Sci & Tecnol Mat; CNR IOM DEMOCRITOS; High Energy Accelerator Research Organization (KEK) (literal)
Titolo
  • O1s photoionization dynamics in oriented NO2 (literal)
Abstract
  • We have performed extensive density functional theory (DFT) calculations, partial cross sections, dipole prepared continuum orbitals, dipole amplitudes and phase shifts, asymmetry parameters beta, and molecular frame photoelectron angular distributions, to elucidate the O1s photoionization dynamics of NO2 molecule with emphasis on the shape resonances in the O1s ionization continuum. In the shape resonance region, the beta parameters and photoelectron angular distributions have been compared with our experimental results. Fairly good agreement between the theory and experiment has confirmed that the DFT level calculations can well describe the photoionization dynamics of the simple molecule such as NO2. Interference due to equivalent atom photoionization is theoretically considered, and the possibility of detection of the effect in the two degenerate channels with different combinations of light polarization and photoemission direction is discussed. (c) 2011 American Institute of Physics. [doi: 10.1063/1.3584202] (literal)
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