Dear Users, Quite recently Bagheri and Blaha have shown that the valence band XPS can be obtained by weighting the partial DOS with energy-dependent photoionization cross-sections, followed by the application of Gaussian broadening instrumentation effects and Lorentzian broadening for lifetime effects.
My question is a technical one: after applying the photoionization cross-sections to the partial DOS, is the result convoluted with a Gaussian, followed by a Lorentzian convolution or the result is convoluted once with the product of the Gaussian and Lorentzian? Thanks FG
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