EA_STATES [0,0,0,0,0,5,0,0] if this a D2h representation. What does this mean?
- I’m attaching a electron to b1u symmetry orbital
(or) - the final state is b1u ?
EA_STATES [0,0,0,0,0,5,0,0] if this a D2h representation. What does this mean?
It means that you are attaching electron to b1u. The symmetry of the final states will be a product of the reference irrep x irrep of the EA_states. If your reference is a closed-shell molecule, then your target state will also be b1u.