Experimental advances with laser intensities above 1 TW/cm 2, with pulse durations
between roughly 50 and 5 fs, have led to the discovery of new atomic effects that include …

In the context of strong field–matter interaction, an increasing number of phenomena has
been found to be not understood within the single-active-electron approximation. For such …

We present a semiclassical surface-hopping method which is able to treat arbitrary
couplings in molecular systems including all degrees of freedom. A reformulation of the …

In this review, we give a comprehensive comparison of the most widely used coherent state
(CS) based methods to solve the time-dependent Schrödinger equation (TDSE). Starting …

We present a theoretical framework for the analysis of ultrafast X-ray scattering experiments
using nonadiabatic quantum molecular dynamics simulations of photochemical dynamics. A …

Nonadiabatic ab initio molecular dynamics (MD) including spin–orbit coupling (SOC) and
laser fields is investigated as a general tool for studies of excited-state processes. Up to …

This article briefly describes recently developed Multiconfigurational Ehrenfest dynamics
method to simulate quantum dynamics in systems with many degrees of freedom. The …

Rapid advances in ultrafast experiments have contributed to the rise of trajectory‐based
methods for describing nonadiabatic dynamics of molecular systems. In the present Chapter …

We compare ultrafast electron and X-ray diffraction using quantum molecular dynamics
simulations in photoexcited ethylene. The simulations of ethylene are done using the ab …

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 …