Charge density of n-th excited state excited state in TDDFT framework.


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Obtaining the excited state density is simple. Any TDDFT gradient calculation will produce a .dmat file with the density of the excited state for which the gradient was calculated, see https://nwchemgit.github.io/index.php/Release65:DPLOT#Plot_the_excited_state_density for an example along with the relevant dplot input to create a file for visualizing the density.

As for the difference density, I do not believe the code is currently set up to output that.

Best,
Sean