期刊
JOURNAL OF CHEMICAL PHYSICS
卷 141, 期 6, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4891986
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资金
- Ministry for Education and Research (Bundesministerium fur Bildung und Forschung)
- Ministry for Science, Research and Arts Baden-Wuerttemberg (Ministerium fur Wissenschaft, Forschung und Kunst Baden-Wurttemberg)
- Research Unit (Interatomic Coulombic Decay) of the Deutsche Forschungsgemeinschaft [1789]
- HGS Mathcomp
- Czech Science Foundation [GACR P208/12/0521]
A scheme utilizing excitation of core electrons followed by the resonant-Auger - interatomic Coulombic decay (RA-ICD) cascade was recently proposed as a means of controlling the generation site and energies of slow ICD electrons. This control mechanism was verified in a series of experiments in rare gas dimers. In this article, we present fully ab initio computed ICD electron and kinetic energy release spectra produced following 2p(3/2) -> 4s, 2p(1/2) -> 4s, and 2p(3/2) -> 3d core excitations of Ar in Ar-2. We demonstrate that the manifold of ICD states populated in the resonant Auger process comprises two groups. One consists of lower energy ionization satellites characterized by fast interatomic decay, while the other consists of slow decaying higher energy ionization satellites. We show that accurate description of nuclear dynamics in the latter ICD states is crucial for obtaining theoretical electron and kinetic energy release spectra in good agreement with the experiment. (C) 2014 AIP Publishing LLC.
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