Angular distribution of Auger electrons from fixed-in-space and rotating C 1s→2π photoexcited CO: Theory

R. F. Fink, M. N. Piancastelli, A. N. Grum-Grzhimailo, K. Ueda

研究成果: Article査読

13 被引用数 (Scopus)

抄録

The one-center approach for molecular Auger decay is applied to predict the angular distribution of Auger electrons from rotating and fixed-in-space molecules. For that purpose, phase shifts between the Auger decay amplitudes have been incorporated in the atomic model. The approach is applied to the resonant Auger decay of the photoexcited C 1s→2π resonance in carbon monoxide. It is discussed how the symmetry of the final ionic state is related to features in the angular distributions and a parametrization for the molecular frame Auger electron angular distribution is suggested. The angular distribution of Auger electrons after partial orientation of the molecule by the σ→π -excitation process is also calculated and compared to available experimental and theoretical data. The results of the one-center approach are at least of the same quality as the available theoretical data even though the latter stem from a much more sophisticated method. As the one-center approximation can be applied with low computational demand even to extended systems, the present approach opens a way to describe the angular distribution of Auger electrons in a wide variety of applications.

本文言語English
論文番号014306
ジャーナルJournal of Chemical Physics
130
1
DOI
出版ステータスPublished - 2009

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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