Fig. 4

Simulated SF dynamics in DP-Mes. Electronic populations (a) and environmental RC occupation dynamics (b, c). For <20 fs, damped Rabi oscillations transfer the population from LE+ to LE− and CT+. At subsequent times TT mirrors the LE+ decay leading to SF on a time scale of 200 fs and suggesting a direct SF pathway. Similar time scales are present in the bath excitation nRC of B1 and B2. The final TT yield reaches 90% after 1 ps