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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: | ||
+ | ;;# | ||
+ | == == | ||
+ | <WRAP center box 100%> | ||
+ | I am interested in the replicability of partial excitations, | ||
+ | |||
+ | 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, | ||
+ | |||
+ | How reliably can this partial excitation be extended to other symmetries, not simply Oh. | ||
+ | |||
+ | Thank you in advance! | ||
+ | </ | ||
+ | |||
+ | ~~DISCUSSION|Answers~~ | ||