X-ray two-photon photoelectron spectroscopy : a theoretical study of inner-shell spectra of the organic para-aminophenol molecule

The inner-shell single and double ionization spectra of the organic molecule para-aminophenol are calculated using many-body Green's function methods. The inner-shell double ionization spectrum displays more pronounced sensitivity to the chemical environment and to electronic many-body effects than does the inner-shell single ionization spectrum. A kinetic model is employed to determine the probability of inner-shell double hole formation in para-aminophenol exposed to an intense, 1 fs x-ray pulse. The resulting photoelectron spectrum at a photon energy of 1 keV is calculated. This work suggests that x-ray two-photon photoelectron spectroscopy using x-ray free-electron lasers will provide access to electronic-structure information not currently available.