Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods

Barneschi Leonardo, Kaliakin Danil, Huix-Rotllant Miquel, Ferre Nicolas, Filatov(Gulak) Michael, Olivucci Massimo
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 19 8189--8200 (2023)