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physics.chem-ph2023★ 1 cited
Quasi-classical simulations of resonance Raman spectra based on path integral linearization
Hugo Bessone, Rodolphe Vuilleumier, Riccardo Spezia
Based on a linearization approximation coupled with path integral formalism, we propose a method derived from the propagation of quasi-classical trajectories to simulate resonance…
physics.chem-ph2017★ 18 cited
Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptions
Riccardo Spezia, Stefan Knecht, Benedetta Mennucci
Carotenoids can play multiple roles in biological photoreceptors thanks to their rich photophysics. In the present work, we have investigated six of the most common carbonyl contai…