Artículo
Dynamics of the Davydov-Scott monomer in a thermal bath: comparison of the full quantum and semiclassical approaches
Autor/es | Cuevas-Maraver, Jesús
Silva, Paulo A.S. Romero Romero, Francisco Cruzeiro, Leonor |
Departamento | Universidad de Sevilla. Departamento de Física Aplicada I Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear |
Fecha de publicación | 2007 |
Fecha de depósito | 2015-02-09 |
Publicado en |
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Resumen | 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 ... 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. |
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PRE_Cuevas_Romero_2007.pdf | 1011.Kb | [PDF] | Ver/ | |