Calculating transition and state density matrices and dipole moment matrices

While I haven’t tried this myself, you should be able to get the dipole elements one-by-one with syntax of the form get_variable("CI ROOT n -> ROOT m DIPOLE X").

As for the dipole matrices, I believe you’re looking for this. Construct a MintsHelper object, then call the ao_dipole method to get a lit of the AO basis dipole elements.

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