Fig. 4: Simulated transient-localization motion in rubrene.
From: Long spin lifetimes of charge carriers in rubrene crystals due to fast transient-localization motion
The inverse participation ratio (IPR, panel a) and the displacement of the center of charge of the hole wavefunction (panel c), shown along a single representative FOB-SH non-adiabatic dynamics trajectory. Notice the large delocalization and corresponding displacement marked by an arrow. The auto-correlation functions for IPR and displacements were averaged over 50 FOB-SH runs and are shown in panels (b) and (d), respectively (black lines). The correlation times indicated were obtained from the best mono-exponential fit functions (red dashed lines).
