Quantum equilibration of a model system Porphine

Guillermo Albareda; Arnau Riera; Miguel Gonzalez; Josep Maria Bofill; Iberio de P. R Moreira; Rosendo Valero; Ivano Tavernelli

arXiv · 1910.05982

Quantum equilibration of a model system Porphine

Guillermo Albareda·Arnau Riera·Miguel Gonzalez·Josep Maria Bofill·Iberio de P. R Moreira·Rosendo Valero·Ivano Tavernelli

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Abstract

There is a renewed interest in the derivation of statistical mechanics from the dynamics of closed quantum systems. A central part of this program is to understand how far-from-equilibrium closed quantum system can behave as if relaxing to a stable equilibrium. Equilibration dynamics has been traditionally studied with a focus on the so-called quenches of large-scale many-body systems. Alternatively, we consider here the equilibration of a molecular model system describing the double proton transfer reaction in porphine. Using numerical simulations, we show that equilibration in this context indeed takes place and does so very rapidly ($\sim \!\! 200$fs) for initial states induced by pump-dump laser pulse control with energies well above the synchronous tunneling barrier.

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Guillermo Albareda, Arnau Riera, Miguel Gonzalez, Josep Maria Bofill, Iberio de P. R Moreira, Rosendo Valero, Ivano Tavernelli. 2019-10-14. Quantum equilibration of a model system Porphine. https://arxiv.org/abs/1910.05982

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