L-Edge X-Ray spectrum NEXAFS (video and new tutorial)
SCM’s expert Erik van Lenthe demonstrates how to calculate X-ray absorption spectra with ADF. Erik walks you through the simulation of core excitations with ADF, including spin-orbit coupling, TDDFT and the fast transition potential method. A step-by-step tutorial of Eriks demonstration can be found in the tutorial L-Edge X-Ray spectrum NEXAFS.
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Key conceptsADF inorganic chemistry organic electronics Relativistic DFT spectroscopy tips & tricks