hi, I need to calculate molecular excitation energies using the MRSF method. During the SCF stage, it is necessary to specify the molecular orbital occupation. What keywords are required in GAMESS to achieve this?
For instance, when dealing with the HF molecule with C2v point group, one can use mf.irrep_nelec = {'A1': (4,2), 'B1':(1,1), 'B2':(1,1)} in PySCF. What is the equivalent operation in GAMESS?
Thank you