Table 2 Comparison of average internal conversion time constants obtained from a first-order irreversible population model for B → Qx (τ1) and Qx → Qy (τ2) pathways using various numbers of independent trajectories taken randomly from the total pool of 500 NA-ESMD trajectories.
From: Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study
Mol. | Num. of | τ1 (fs) | τ2 (fs) |
|---|---|---|---|
Traj. | |||
ChlA | 100 | 99.3 ± 4.5 | 128 ± 8 |
200 | 99.2 ± 2.6 | 128 ± 5 | |
300 | 99.2 ± 1.7 | 128 ± 3 | |
400 | 99.2 ± 1.1 | 128 ± 2 | |
500 | 99.2 | 128 | |
ChlA | 100 | 57.9 ± 5.7 | 208 ± 12 |
200 | 57.9 ± 3.3 | 208 ± 7 | |
300 | 57.9 ± 2.2 | 208 ± 5 | |
400 | 57.9 ± 1.4 | 208 ± 3 | |
500 | 57.9 | 208 |
