Figure 7
From: Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study
Excited state potential energy surface (PES) events during 1 ps NA-ESMD simulations of ChlA (black) and ChlB (red).
Times of effective (a) B → Qx and (b) Qx → Qy hops, energy gaps (ΔE) between (c) B and Qx and (d) Qx and Qy excited states during effective hops, frequency of nonadiabatic coupling magnitude during effective (e) B → Qx and (f) Qx → Qy hops and times of effective hops with ΔE > 0.1 eV (solid) and ΔE ≤ 0.1 eV (dashed) for (g) B → Qx and (h) Qx → Qy. In (a,b,g,h), t = 0 refers to the moment the donor excited state (B – (a) and (g), Qx – (b) and (h)) is initially populated on each trajectory.
