“…One such example is guest@MOF materials (Section 6.5), where interactions of the guest and MOF pore generally play a crucial role in the observed photomechanisms. Hybrid methods using both additive and ONIOM schemes have been employed in the MOF literature, to study photochromism, 113 aggregate-caused quenching (ACQ), 122 and TADF. 123 Like in isolated cluster models, hybrid methods allow the model region to be treated at the correlated wavefunction or TDDFT level, enabling accurate treatment of localised excitation processes, whilst a much larger environment region is treated at the low-level, for instance using molecular mechanics force field methods (QM/MM) or a relatively cheap quantum mechanical method (QM/QM 0 ).…”