Hello,
I would like to know if there is a way to generate a file containing the wavefunction of different excited states compute via EOM-CCSD (or also CASSCF). I need the eigenstates, possibly as some kind of array processable with python, to then perform diabatization and calculations of NACs with python.
If anyone has idea on how I could get them it would be helpful (for eigenstate I mean the expansion of the wf of each excited state).
Thank you