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Electron excitation analysis of BDPO.
| Excitation | D (Å) | Sm (a.u.) | Sr(a.u.) | H (Å) | τ (Å) | Excitation energy (eV) | Coulomb attractive energy (eV) |
|---|---|---|---|---|---|---|---|
| S0 → S1 | 0.437 | 0.28113 | 0.54275 | 1.914 | -0.768 | 4.293 | 7.262503 |
| S0 → S2 | 0.616 | 0.51800 | 0.79799 | 2.612 | -1.118 | 4.835 | 5.350274 |
| S0 → S3 | 0.427 | 0.58251 | 0.84582 | 2.500 | -0.998 | 4.958 | 5.598035 |
| S0 → s4 | 1.591 | 0.17985 | 0.42236 | 3.647 | -0.559 | 5.152 | 3.661583 |
| S0 → S5 | 1.472 | 0.19635 | 0.42703 | 3.608 | -0.571 | 5.202 | 3.694333 |
