Table 3.
The excitation energies (eV), associated wavelengths (nm), oscillator strengths, light harvesting efficiency, normalized integrated spectral area, and orbital contribution.
| State | E | λmax | f | ηλ | S | Major configurations | |
|---|---|---|---|---|---|---|---|
| 1 | S1 | 1.86 | 666 | 2.50 | 0.997 | 1 | HOMO→ LUMO (83.5%) |
| 2 | S1 | 1.81 | 686 | 2.57 | 0.997 | 1.15 | HOMO→ LUMO (83.5%) |
| 4 | S1 | 1.86 | 666 | 2.59 | 0.997 | 1.11 | HOMO→ LUMO (83.2%) |
| 6 | S1 | 1.90 | 652 | 2.37 | 0.997 | 0.98 | HOMO→ LUMO (80.6%) |
| 7 | S1 | 1.83 | 677 | 2.59 | 0.997 | 1.15 | HOMO→ LUMO (83.7%) |
| 8 | S1 | 1.82 | 682 | 2.59 | 0.997 | 1.15 | HOMO→ LUMO (83.7%) |