Cover Image, Volume 36, Issue 31

On page 2271 (DOI: 10.1002/jcc.24195 ), Ivan Carnimeo, Chiara Cappelli, and Vincenzo Barone present and validate a polarizable QM/MM scheme for the calculation of excited state properties of large molecular systems, providing both the theoretical framework and pilot test cases. Analytical post‐SCF gradients for excited states at the TD‐DFT level, as well as for ground state MP2 and B2PLYP Hamiltonians, have been implemented, thus allowing geometry optimization and the evaluation of vibronic spectra of complex molecular systems. In the image a graphical representation of a typical molecular system, which can be treated with this new approach, is shown.