13 citations · 20 across the 3 of their papers we have counts for
3 papers
Entropy and canonical ensemble of hybrid quantum classical systems
J. L. Alonso, C. Bouthelier, A. Castro +2
In this work we generalize and combine Gibbs and von Neumann approaches to build, for the first time, a rigorous definition of entropy for hybrid quantum-classical systems. The res…
Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensemble
J. L. Alonso, A. Castro, J. Clemente-Gallardo +4
Schrödinger suggested that thermodynamical functions cannot be based on the gratuitous allegation that quantum-mechanical levels (typically the orthogonal eigenstates of the Hamilt…
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
At non-zero temperature and when a system has low-lying excited electronic states, the ground-state Born--Oppenheimer approximation breaks down and the low-lying electronic states…