Hello,
I would like to run a BOMD on an excited state surface. Only issue, the excited state is a core excitation. I know the surface from CVS-ADC calculations (or also CVS-EOM-CCSD). Is it possible to run an AIMD job on surfaces calculated at these levels of theory or is it necessary to use other tricks (like doing CIS after reordering the orbitals)?
Any suggestion is very welcome.
Thank you for the help,
Alessandro