I would like to calculate dipole moments, transition moments
and excitation energies in a single run. More precisely, I
need dipole moments for both ground- and excited-states. How can I
do it with Firefly? I have searched this forum and found some topics
on calculations of dipole moments also with XMCQDPT2 but I couldn't
find answer to my question.
Obviously I know how to extract excitation energies and
transition dipole moments.