[Wien] Question about Valence Band XPS

[Francisco Garcia]

Thank you very much for your reply Prof. Blaha.

On Sat, Apr 12, 2025 at 1:17 PM Francisco Garcia <garcia.ff.000 at gmail.com>
wrote:

> 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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