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Excitation energy, Charge transfer length, Overlap integral, t index for different excited states for N2M5MB.
| Parameters | First excited state | Second excited state | Third excited state |
|---|---|---|---|
| Excitation energy E (eV) | 4.807 | 5.233 | 5.625 |
| Charge transfer length D index (A°) | 0.695 | 2.906 | 0.953 |
| Overlap of electron-hole distribution (S) | 0.1287 | 0.1879 | 0.3443 |
| t index | -0.976 | 0.038 | -0.486 |
