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Dynamics of the Davydov-Scott monomer in a thermal bath: comparison of the full quantum and semiclassical approaches

 

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Opened Access Dynamics of the Davydov-Scott monomer in a thermal bath: comparison of the full quantum and semiclassical approaches
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Author: Cuevas-Maraver, Jesús
Silva, P.A.S.
Romero Romero, Francisco
Cruzeiro, Leonor
Department: Universidad de Sevilla. Departamento de Física Aplicada I
Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear
Date: 2007
Published in: Physical Review E (2007, v. 71, n. 1, p. 011907:1-8)
Document type: Article
Abstract: The quantum state diffusion equation is applied to the problem of energy transfer in proteins. Lindblad operators, capable of coupling the full quantum Davydov-Scott monomer to a thermal bath, are derived. Numerical simulations with the QSD equation show that the Lindblad operators derived do recreate the exact equilibrium ensemble for the Davydov-Scott monomer. Comparison of the results obtained with the full quantum and with the semiclassical systems shows that, at biological temperatures, the latter provides a good approximation of the former.
Size: 1011.Kb
Format: PDF

URI: http://hdl.handle.net/11441/18583

DOI: 10.1103/PhysRevE.76.011907

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