Carlos Cruz

A modified Ehrenfest method that achieves Boltzmann quantum state populations

A. Bastida, J. Zúñiga, A. Requena, 2006 .

Collective probabilities algorithm for surface hopping calculations

A. Bastida, J. Zúñiga, A. Requena, 2003 .

Surface hopping simulation of the vibrational relaxation of I2 in liquid xenon using the collective probabilities algorithm.

A. Bastida, J. Zúñiga, A. Requena, 2004, The Journal of chemical physics.

The Ehrenfest method with quantum corrections to simulate the relaxation of molecules in solution: equilibrium and dynamics.

A. Bastida, J. Zúñiga, A. Requena, 2007, The Journal of chemical physics.