What are the generally employed methods in order to simulate the intensity of 'Double Ionization' photoelectron spectra of a molecule?

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Sascha Krüger

I think there is no simple answer to your question. Depends very much on your double-ionization process ... spectral properties of the laser-light-field (esp. wavelength) and the systems you looking at (neutral and ion state could exhibit very different molecular geometries. Thus calculation of FCF, for instance, become problematic or pointless.