A question arises how these states affect nonadiabatic dynamics of the multiazobenzene and, in particular, dynamics of exciton localization. To tackle this question, we performed surface hopping (SH) simulations with both CIS and CISD methods. In the case of CIS, six excited states and the ground state were included in the simulations. And in the case of CISD, 15 excited states and the ground state were accounted for (compare to Fig. ). The initial conditions (geometries and velocities) for the SH simulations were sampled from 20 ps long Langevin trajectories (at T = 300 K). The SH trajectories (100 for each system) were launched from the brightest ππ * state (see absorption spectra in Figs. S2-S4 and initial populations in Tab. S1) and propagated for 10 ps. For comparison, we simulated nonadiabatic dynamics of the monomer using either CIS or CISD and the active space of three orbitals (π, n, and π * corresponding, respectively, to HOMO-1, HOMO, and LUMO of the monomer, see Fig. ). See Methods section for further details.