A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity"
Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections
Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopy
It took a number of years to finish these papers. I am certainly the junior co-author and I commend my co-authors for all their hard work and perseverance.
The four papers have two common related themes, that are hopefully not lost in all the technical detail.
1. Diabatic states provide a powerful scheme, both conceptually and quantitatively, to describe a wide range of chemical phenomena.
2. This can be nicely illustrated using a simple model Hamiltonian describing the coupling of two electronic states to a single vibrational mode.
In chemistry language this is a E x beta Jahn-Teller model. In condensed matter language, is a two-site spinless fermion Holstein model.
We welcome comments.
Update (24 September, 2015). The papers made it to the cover of the print edition.