Showing items related by title, author, creator and subject.

• Ehrenfest dynamics is purity non-preserving: a necessary ingredient for decoherence 

  Alonso, J. L.; Clemente-Gallardo, Jesús; Cuchí Oterino, J. C.; Echenique, Pablo; Falceto, Fernando (American Institute of Physics, 2012)

  We discuss the evolution of purity in mixed quantum/classical approaches to electronic nonadiabatic dynamics in the context of the Ehrenfest model. As it is impossible to exactly determine initial conditions for a realistic ...

• Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensemble 

  Alonso, J. L.; Castro, Alberto; Clemente-Gallardo, Jesús; Cuchí Oterino, J. C.; Echenique, Pablo; Esteve, J. G.; Falceto, Fernando (American Physical Society, 2015)

  Schrödinger suggested that thermodynamical functions cannot be based on the gratuitous allegation that quantum-mechanical levels (typically the orthogonal eigenstates of the Hamiltonian operator) are the only allowed states ...

• Ehrenfest Statistical Dynamics in Chemistry: Study of Decoherence Effects 

  Alonso, J. L.; Bruscolini, P.; Castro, Alberto; Clemente-Gallardo, Jesús; Cuchí Oterino, J. C.; Jover-Galtier, J. A. (American Chemical Society, 2018-06-26)

  In previous works, we introduced a geometric route to define our Ehrenfest statistical dynamics (ESD) and we proved that, for a simple toy model, the resulting ESD does not preserve purity. We now take a step further: we ...