We review the Surface Hop** including ARbitrary Couplings (SHARC) approach for
excited‐state nonadiabatic dynamics simulations. As a generalization of the popular surface …

Structural imaging of transient excited-state species is a key goal of molecular physics,
promising to unveil rich information about the dynamics underpinning photochemical …

We have observed details of the internal motion and dissociation channels in photoexcited
carbon disulfide (CS 2) using time-resolved x-ray scattering (TRXS). Photoexcitation of gas …

Structural information on electronically excited neutral molecules can be indirectly retrieved,
largely through pump–probe and rotational spectroscopy measurements with the aid of …

The structural dynamics of photoexcited gas-phase carbon disulfide (CS2) molecules are
investigated using ultrafast electron diffraction. The dynamics were triggered by excitation of …

Using the recently developed multistate map** approach to surface hop** (multistate
MASH) method combined with SA (3)-CASSCF (12, 12)/aug-cc-pVDZ electronic structure …

We probe the dynamics of dissociating CS 2 molecules across the entire reaction pathway
upon excitation. Photoelectron spectroscopy measurements using laboratory-generated …

We report an implementation for employing the algebraic diagrammatic construction to
second order [ADC (2)] ab initio electronic structure level of theory in nonadiabatic dynamics …

X-ray Free-Electron Lasers have made it possible to record time-sequences of diffraction
images to determine changes in molecular geometry during ultrafast photochemical …

The products formed following the photodissociation of UV (200 nm) excited CS 2 are
monitored in a time resolved photoelectron spectroscopy experiment using femtosecond …