SIMULATION OF RESONANTLY AND OFF-RESONANTLY EXCITED X-RAY-EMISSION SPECTRA - AN APPLICATION FOR THE X-ALPHA SCATTERED-WAVE METHOD

It is shown that the X alpha scattered-wave method is particularly use ful to simulate high-resolution x-ray-emission (XE) spectra of molecul es. Calculations for both the resonant and off-resonant C K XE spectra of benzene have been performed. In the off-resonant case the ability of this method to calculate the cross sections of the primary core ion ization is crucial and multichannel interference effects may be signif icant. Furthermore, we discuss the treatment of molecular symmetry in modeling x-ray processes and the interpretation of x-ray emission as a n inelastic scattering process.