S Lehtola - International Journal of Quantum Chemistry, 2019 - Wiley Online Library
The need for accurate calculations on atoms and diatomic molecules is motivated by the opportunities and challenges of such studies. The most commonly used approach for all …
Context. Vacuum-ultraviolet (VUV) photons are important drivers of chemical processes in space. Thus, it is important to accurately characterize and constrain photorates in different …
Temporal delays extracted from photoionization phases are currently determined with attosecond resolution by using interferometric methods. Such methods require special care …
A Palacios, F Martín - Wiley Interdisciplinary Reviews …, 2020 - Wiley Online Library
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 …
RMT is a programme which solves the time-dependent Schrödinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to …
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 …
The study of onset and decay, as well as control of ultrafast quantum coherence in many- electron systems is in the focus of interest of attosecond physics. Interpretation of attosecond …
The perceived dichotomy between analytical and ab initio approaches to theory in attosecond science is often seen as a source of tension and misconceptions. This Topical …
Advances in coherent light sources and development of pump–probe techniques in recent decades have opened the way to study electronic motion in its natural time scale. When an …