Abstract:
With the advance of time-dependent probes the investigation of the dynamical behavior
of matter at the nanoscale has become a very important research direction. Laser-assisted steering
of the electron motion in molecules and manipulation of their structure and composition has been
dreamt about since the very emergence of coherent light sources. Realizing new possibilities in selective
photochemistry of complex molecular systems, however, requires good understanding of underlying
quantum dynamics. First-principles quantum-mechanical simulations can be of great help in assisting
experiments, understanding the complex quantum dynamics, and interpreting the experimental data.