Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …

Time-resolved photoelectron spectroscopy (TRPES) has become one of the most
widespread techniques for probing nonadiabatic dynamics in the excited electronic states of …

Coulomb explosion imaging (CEI) with x-ray free electron lasers has recently been shown to
be a powerful method for obtaining detailed structural information of gas-phase planar ring …

The light-induced ultrafast switching between molecular isomers norbornadiene and
quadricyclane can reversibly store and release a substantial amount of chemical energy …

Identifying multiple rival reaction products and transient species formed during ultrafast
photochemical reactions and determining their time-evolving relative populations are key …

Photochemical reactions are widely modeled using the popular trajectory surface hop**
(TSH) method, an affordable mixed quantum-classical approximation to the full quantum …

Elementary events that determine photochemical outcomes and molecular functionalities
happen on the femtosecond and subfemtosecond timescales. Among the most ubiquitous …

Time-resolved X-ray photoelectron spectroscopy (TR-XPS) is used in a simulation study to
monitor the excited state intramolecular proton transfer between oxygen and nitrogen atoms …

Over the last 20 years, XUV and X-ray free-electron lasers have enabled a wide variety of
time-resolved experiments that have dramatically advanced our understanding of ultrafast …

Molecular‐level understanding of photoinduced processes is critically important for
breakthroughs in transformative technologies utilizing light, ranging from photomedicine to …