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. 2020 Nov 5;8:580252. doi: 10.3389/fchem.2020.580252

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%)