Interchannel coupling effects in the valence photoionization of SF{sub 6}

Journal Article · Wed May 28 04:00:00 EDT 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4876576· OSTI ID:22304395

Jose, J.; Rescigno, T. N. ^[1]

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1. Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720 (United States)

The complex Kohn and polyatomic Schwinger variational techniques have been employed to illustrate the interchannel coupling correlation effects in the valence photoionization dynamics of SF{sub 6}. Partial photoionization cross sections and asymmetry parameters of six valence subshells (1t{sub 1g}, 5t{sub 1u}, 1t{sub 2u}, 3e{sub g}, 1t{sub 2g}, 4t{sub 1u}) are discussed in the framework of several theoretical and experimental studies. The complex Kohn results are in rather good agreement with experimental results, indicative of the fact that the interchannel coupling effects alter the photoionization dynamics significantly. We find that the dominant effect of interchannel coupling is to reduce the magnitude of shape resonant cross sections near the threshold and to induce resonant features in other channels to which resonances are coupled. The long-standing issue concerning ordering of the valence orbitals is addressed and confirmed 4t{sub 1u}{sup 6}1t{sub 2g}{sup 6}3e{sub g}{sup 4}(5t{sub 1u}{sup 6}+1t{sub 2u}{sup 6}) 1t{sub 1g}{sup 6} as the most likely ordering.

• OSTI ID: 22304395
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 20 Vol. 140; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CORRELATIONS
COUPLING
CROSS SECTIONS
PHOTOIONIZATION
RESONANCE
SCHWINGER VARIATIONAL METHOD
SULFUR FLUORIDES
VALENCE