Kohn-Sham density functional theory calculations of non-resonant and resonant X-ray emission spectroscopy

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Kohn-Sham density functional theory calculations of non-resonant and resonant X-ray emission spectroscopy

The accuracy of non-resonant and resonant (resonant inelastic X-ray scattering) X-ray emission spectra simulated based upon Kohn-Sham density functional theory is assessed. Accurate non-resonant X-ray emission spectra with the correct energy scale are obtained when short-range corrected exchange-cor...

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Bibliographic Details
Main Authors:	Hanson-Heine, Magnus W.D., George, Michael W., Besley, Nicholas A.
Format:	Article
Published:	American Institute of Physics 2017
Online Access:	https://eprints.nottingham.ac.uk/40633/

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