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

Cuevas, J.; Silva, P. A. S.; Romero, F. R.; Cruzeiro, L.

http://hdl.handle.net/10400.1/11478

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Abstract(s)

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.