Here 𝐹 𝜇𝜐 0 is the corresponding element of the solute's SCF matrix and k spans over the solvent atoms. 𝑞 𝑘 and 𝐦 𝑘 represent the residual charge and induced dipole on the k th atom of the solvent. Overall, the second term in 𝐹 𝜇𝜇 captures the potential 𝑈 𝜇 , on the 𝜇 𝑡ℎ atom from its environment. The induced dipoles are determined self-consistently and are an important part of our treatment. The solute charges are computed at each molecular dynamics (MD) step with the current U vector components, mirroring the present solvent setup. Concurrently, the solvent molecules respond at each step to the solute charges in the electronic state whose surface drives the given MD simulation. The approach for handling solvent and protein-induced dipoles in excited-state calculations is modeled on the procedure from eq 17 in ref . Within this framework, we let the solvent's permanent and induced dipoles adapt to the charge distribution of the considered electronic state.