ROOTS_PER_IRREPΒΆ
Number of excited states per irreducible representation for EOM-CC and CC-LR calculations. Irreps denote the final state symmetry, not the symmetry of the transition.
- Type: array
- Default: No Default
Number of excited states per irreducible representation for EOM-CC and CC-LR calculations. Irreps denote the final state symmetry, not the symmetry of the transition.
- Type: array
- Default: No Default