====== Partial Excitation NiO Example ======
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asked by [[mailto:myron.huzan@postgrad.manchester.ac.uk|Myron Huzan]] (2021/02/14 16:55)
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I am interested in the replicability of partial excitations, specifically the NiO example (XAS L2,3 partial excitations) which includes a ligand-field description. 

From the spectra printed in the examples the spectral features aren't fully replicable to that of the total, i.e eg + t2g != total. Is this a limitation of the transition matrices used for the partial excitations or is something else occurring? This extends to the ligand field description, is there a scaling required for the d8, d9 spectra since the satellite feature of this spectra (~1eV, Fig 3) the d8 satellite is drastically greater than that of the total. 

How reliably can this partial excitation be extended to other symmetries, not simply Oh. 

Thank you in advance!
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