Abstract
The Auger single $3d$ vacancy and satellite spectrum for Kr is calculated. It is shown for the single-vacancy ${M}_{4,5}\ensuremath{-}NN$ spectra that the calculations are in good agreement with experiment only if certain levels in Kr Iii are reassigned. The level at 171 997 ${\mathrm{cm}}^{\ensuremath{-}1}$ attributed in Moore's tables to ${(4p)}^{3}^{2}D(4d)^{1}P_{1}$ is assigned to the missing $^{3}P_{1}$ term, and the $^{1}P_{1}$ is located at 196 500 ${\mathrm{cm}}^{\ensuremath{-}1}$. These reassignments are consistent with expected configuration-interaction effects. As a result the low-energy doublet in the Kr ${M}_{4,5}\ensuremath{-}NN$ spectrum is identified as the ${M}_{4,5}\ensuremath{-}{N}_{1}{N}_{1}$ transition, in agreement with recent energy calculations. Calculations were made to reproduce the observed satellite spectra $(3d)(4p)\ensuremath{\rightarrow}{(4p)}^{3}$ and $(3d)(4p)\ensuremath{\rightarrow}(4s){(4p)}^{2}$, with both a statistical distribution of shakeoff and Auger decay of $3p$ vacancies, as population mechanisms for the $(3d)(4p)$ configuration. It was found that the $(3d)(4p)\ensuremath{-}{(4p)}^{3}$ calculations with an initial $(3d)(4p)$ population distribution from Auger decay of $3p$ vacancies were in excellent agreement with experiment, while the statistically distributed shakeoff hypothesis leads to relatively poor agreement. For the $(3d)(4p)\ensuremath{\rightarrow}(4s){(4p)}^{2}$ neither calculation is in agreement with experiment, because of the neglect of configuration interaction. The summed calculated intensity appears to agree with the summed measured intensity for an initial $(3d)(4p)$ population produced by Auger decay of $3p$ vacancies. Statistically distributed shakeoff leads to a summed intensity far in excess of the summed measured intensity. We conclude that statistically distributed shakeoff must have a probability significantly less than 5%, in contrast to recent calculations indicating 10% shakeoff.
Published Version
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