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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English English |
| Published: |
American Institute of Physics
2017
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| Online Access: | http://eprints.nottingham.ac.uk/40633/ http://eprints.nottingham.ac.uk/40633/ http://eprints.nottingham.ac.uk/40633/ http://eprints.nottingham.ac.uk/40633/8/kohn-sham.pdf http://eprints.nottingham.ac.uk/40633/1/KS-XES.pdf |