posted on 2024-07-15, 04:07authored byEricka Miller, Sean Hoehn, Abhijith Kumar, Dehua Jiang, Shane Parker
The supplementary material contains: estimations of the influence of the forced-hop threshold on S1 lifetimes, comparison of ORCA and TURBOMOLE vertical excitation energies, minimal energy conical intersection structural characterization, detailed outcome statistics for each of our PBE0-FSSH trajectories, details of the implementation of our simulated electron diffraction patterns, time-resolved ∆PDF contour plots decomposed by element pair contributions, selected ∆PDF time-delay plots and EADD analysis for SVPD dynamics, extended data from our Landau-Zener analysis, and time-dependent electronic populations from the TZVPD simulations.