I am somewhat confused on which orbitals are used and need to be visualized for excited states calculated via ricc2 and escf (tddft b3lyp)? Are those dscf (ridft) orbitals or localized orbitals or some other orbitals? In which file are they stored so I can visualize them with Tmolex?
In ricc2 I am getting these plotted, are these used for excited state construction?
+--------------------------------------------------------------------+
| CC2 unrelaxed natural orbital occupation numbers |
+--------------------------------------------------------------------+
| natural orb. | occupation numbers |
+---------------+----------------------------------------------------+
| a | |
| 1 - 5 | 2.0000 2.0000 2.0000 2.0000 2.0000 |
| 6 - 10 | 2.0000 2.0000 2.0000 2.0000 2.0000 |
| 11 - 15 | 2.0000 2.0000 2.0000 2.0000 2.0000 |