Theoretical study of EXAFS-like modulation observed in valence XPS spectra |
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| Authors: | Shiro Hirota Takashi Fujikawa |
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| Institution: | Faculty of Engineering, Yokohama National University, Yokohama 240 Japan |
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| Abstract: | Dynamic theory developed previously by the authors is applied to photoionization from delocalized molecular orbitals. EXAFS-like oscillation is observed in any case, but the origin, period and magnitude differ from those of EXAFS usually observed in core photoionization. Numerical calcu- lations are performed in the energy range k = 3–6 a.u. for three molecules: H2O, CO and CO2. Analysis of such oscillatory behavior aids in the characterization of photoionized orbitals. |
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