Conclusions
The CI method has been applied to multiparticle interactions and electron relaxation effects on CO x-ray emission spectra. Those corrections give satisfactory correspondence between the calculated and observed characteristics. The relative intensities found in that approximation agree qualitatively with experiment, but complete quantitative description for them has not been obtained from CI. For the O Kα spectrum, the observed intensity ratio for transitions to the X2Σ+ and A2Π states is 0.28, while the calculated one is 0.08; the corresponding values for C Kα are 0.59 and 0.75. The conclusion that there are unsystematic changes in the relative intensities when relaxation and correlation are allowed for agrees with the published data. We have also considered the satellite structures in the C Kα and O Kα spectra in the diagram transition region. Energies and relative intensities have been calculated for the satellite lines in the C Kα spectrum, and correction for them alters the results slightly (relative intensity reduced to 0.70). No nondiagram transitions have been observed in the relevant region of the O Kα spectrum.
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All-Union Center for Research on Surfaces and Vacuum. Translated from Zhurnal Strukturnoi Khimii, No. 1, pp. 72–79, January–February, 1989.
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Petrova, M.I., Simkin, V.Y. & Dement'ev, A.I. Multiconfiguration-approximation x-ray emission spectrum description. J Struct Chem 30, 60–65 (1989). https://doi.org/10.1007/BF00748183
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DOI: https://doi.org/10.1007/BF00748183