The direct and diffused components of downward shortwave radiation (SW), and photosynthetically active radiation (PAR) at the Earth surface play an essential role in biochemical (e.g. photosynthesis) and physical (e.g. energy balance) processes that control weather and climate conditions, and...

The accurate description of excited vibronic states is important for modeling a wide range of photoinduced processes. The nuclear–electronic orbital (NEO) approach, which treats specified protons on the same level as the electrons, can describe excited electronic–protonic states. Herein the...

The quantum mechanical treatment of both electrons and nuclei is crucial in nonadiabatic dynamical processes such as proton-coupled electron transfer. The nuclear−electronic orbital (NEO) method provides an elegant framework for including nuclear quantum effects beyond the Born–Oppenheimer...