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—forum:data:2021:partial_excitation_nio_example [2021/02/14 16:55] (current) – Created from the form at forum:start Myron Huzan
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 +====== Partial Excitation NiO Example ======
 +;;#
 +asked by [[mailto:myron.huzan@postgrad.manchester.ac.uk|Myron Huzan]] (2021/02/14 16:55)
 +;;#
 +== ==
 +<WRAP center box 100%>
 +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!
 +</WRAP>
 +
 +~~DISCUSSION|Answers~~
  

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