Hamiltonian is constructed and a full-dimensional TDH dynamics simulation is performed All quantum chemical calculations were performed using TURBOMOLE version 7.8.1. In particular, the BSE@GW and TD-DFT calculations were done with the ESCF module using the TDA. Self-consistent field calculations were performed in the RIDFT module, making use of the resolution of identity (RI) approximation. SOC matrix elements were calculated with TURBOMOLE's PROPER module using the effective one-electron operator option, which includes a screened nuclear charge. The range-separated functional LC-BLYP was used with parameters taken from Ref. 13. The equilibrium geometry was obtained through DFT geometry optimization, which resulted in a C 2 symmetric structure, although symmetry was not enforced and has not explicitly been used in subsequent calculations.