期刊
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
卷 155, 期 1-3, 页码 54-57出版社
ELSEVIER
DOI: 10.1016/j.elspec.2006.10.002
关键词
core-level; photoelectron spectroscopy; synchrotron radiation; carbon dioxide; SAC-CI; ab initio
类别
Vibrationally resolved C 1s and O 1s photoelectron spectra of carbon dioxide have been measured with photon energies up to 500 and 700 eV, respectively. Vibrational branching ratios are nearly constant for the C 1s and O 1s photoelectron spectra recorded with the photon energies in the regions 400-500 and 600-700 eV, respectively, where neither shape resonance effect nor photoelectron recoil effect is significant. The information about the potential curves for the C 1s and O 1s ionized states are extracted from these spectra, using the Franck-Condon approximation. The experimental potential curves thus obtained are well reproduced by the present ab initio calculations based on the symmetry adapted cluster-configuration interaction (SAC-CI) method. (c) 2006 Elsevier B.V. All rights reserved.
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