E. Pahl et al., Resonant decay spectra for energetically unselective excitation exemplified by the broadband resonant Auger spectrum of HF, PHYS REV A, 60(2), 1999, pp. 1070-1078
The interpretation of resonant decay spectra of molecules resulting from an
energetically unselective excitation may be very complex: a large number o
f core-excited states is accessible by broadband excitation and thus decay
contributions of all of these states can be found in the observed spectra.
For an understanding of the spectra a knowledge of the potential curves of
all core-excited and final states involved as well as information about the
populated intermediate states is necessary. In this paper, we demonstrate
this by studying the broadband resonant Auger spectrum of hydrogen fluoride
in detail. A comparison with the experimental spectrum obtained after elec
tron-impact excitation will be drawn. For this paper the needed potential c
urves have been computed using extended ab initio multireference configurat
ion-interaction calculations. The information on the core-excited states po
pulated by electron impact is obtained by calculation of the electron energ
y-loss spectrum of HF and comparison with the corresponding experimental sp
ectrum. [S1050-2947(99)00108-0].