Hi,
I was looking for the possibility to obtain the SCF linear combination MO coefficients of excited states (excited state mos file). I need those to interface it to MolSOC which requires a mos file for each state to be coupled and I need to compute the SOCMEs between excited states. Can somebody teach me how to obtain those?
Thanks,
Marsel
Link to MolSOC:
https://www.sciencedirect.com/science/article/abs/pii/S0010465513003421?via%3Dihub