CORRELATION EFFECTS IN THE AUGER-SPECTRA OF HYDROGEN-FLUORIDE AND NEON

Energies and wavefunctions of doubly ionized states of HF and Ne have been calculated with a general ab-initio CI program. Excellent agreement with the experimental Auger spectra is obtained by including configuration interaction on previously calculated Auger transition rates. Configuration mixing is shown to be crucial for the low-energy transitions in the Auger spectra and has a more pronounced effect in HF than in Ne. This can be attributed to interaction between Auger diagram states and low lying correlation states. This molecular effect also explains the broadening of the spectral lines in HF relative to Ne. © 1979.