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XMCQDPT2 ground- and excited-state dipole moments

Dawid
dawid.grabarek@pwr.edu.pl


Dear Firefly Users,

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.

Best wishes,
Dawid


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