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

7 citations · 7 across the 1 of their papers we have counts for

collaborators

1 paper

physics.chem-ph2012★ 7 cited

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…