In the past two decades, the density matrix renormalization group (DMRG) has emerged as
an innovative new method in quantum chemistry relying on a theoretical framework very …

Since the first demonstration of the generation of attosecond pulses (1 as= 10− 18 s) in the
extreme-ultraviolet spectral region, several measurement techniques have been introduced …

Attosecond science opened the door to observing nuclear and electronic dynamics in real
time and has begun to expand beyond its traditional grounds. Among several spectroscopic …

Attosecond science is nowadays a well-established research field, and table-top attosecond
sources based on high-harmonic generation are routinely used to access electronic motion …

The Born‐Oppenheimer approximation constitutes a cornerstone of our understanding of
molecules and their reactivity, partly because it introduces a somewhat simplified …

First-principles calculations are employed to elucidate the modes of attosecond charge
migration (CM) in halogenated hydrocarbon chains. We use constrained density functional …

The creation and dynamical fate of a coherent superposition of electronic states generated
in a polyatomic molecule by broadband ionization with extreme ultraviolet pulses is studied …

With the advent of attosecond light pulses at the beginning of this century, the possibility to
perform real‐time observations of electron motion in molecules has spurred impressive …

Modern ultrashort X-ray/XUV (extreme ultraviolet) sources provide unique opportunities to
investigate the primary reactions of matter upon energetic excitation. Understanding these …

We present a comprehensive theoretical study of valence-shell photoionization of the CO2
molecule by using the XCHEM methodology. This method makes use of a fully correlated …