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papers

Publications (5)

physics.chem-ph2012

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

J. L. Alonso, J. Clemente-Gallardo, J. C. Cuchí +2

physics.chem-ph2011

Statistics and Nosé formalism for Ehrenfest dynamics

J. L. Alonso, A. Castro, J. Clemente-Gallardo +3

physics.chem-ph2012

Non-adiabatic effects within a single thermally-averaged potential energy surface: Thermal expansion and reaction rates of small molecules

J. L. Alonso, A. Castro, J. Clemente-Gallardo +5

quant-ph2010

Geometry and Statistics of Ehrenfest dynamics

J. L. Alonso, A. Castro, J. Clemente-Gallardo +3

cond-mat.other2010

Ab Initio Molecular Dynamics on the Electronic Boltzmann Equilibrium Distribution

J. L. Alonso, A. Castro, P. Echenique +3