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Quantum Simulation
Quantum Chemistry
Quantum equilibration of a model system Porphine
arXiv
Authors: Guillermo Albareda, Arnau Riera, Miguel Gonzalez, Josep Maria Bofill, Iberio de P. R Moreira, Rosendo Valero, Ivano Tavernelli
Year
2019
Paper ID
7231
Status
Preprint
Abstract Read
~2 min
Abstract Words
114
Citations
N/A
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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- This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
- It adds a 2019 reference point for readers tracking recent quantum research.
- There is a renewed interest in the derivation of statistical mechanics from the dynamics of closed quantum systems.
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