Over the last few decades, conical intersections (CoIns) have grown from theoretical
curiosities into common mechanistic features of photochemical reactions, whose function is …

Electronic resonances are states that are unstable towards loss of electrons. They play
critical roles in high-energy environments across chemistry, physics, and biology but are …

The field of nonadiabatic dynamics has matured over the last decade with a range of
algorithms and electronic structure methods available at the moment. While the community …

Ultrafast electronic relaxation of nucleobases from 1ππ* states to the ground state (S0) is
considered essential for the photostability of DNA. However, transient absorption …

We presented an effective and universal strategy for the improvement of luminophore's solid-
state emission, ie, macrocyclization-induced emission enhancement (MIEE), by linking …

Direct dynamics by mixed quantum-classical nonadiabatic methods is an important tool for
understanding processes involving multiple electronic states. Very often, the computational …

Thermally activated chemical reactions are typically understood in terms of overcoming
potential-energy barriers. However, standard rate theories break down in the presence of a …

A methodology to locally characterize conical intersections (CIs) between two adiabatic
electronic states for which no nonadiabatic coupling (NAC) vectors are available is …

Theoretical studies of photochemical processes require a description of the energy surfaces
of excited electronic states, especially near degeneracies, where transitions between states …

Excited state dynamics play a critical role across a broad range of scientific fields.
Importantly, the highly non-equilibrium nature of the states generated by photoexcitation …