Attosecond electron dynamics in molecules

M Nisoli, P Decleva, F Calegari, A Palacios… - Chemical …, 2017 - ACS Publications
Advances in attosecond science have led to a wealth of important discoveries in atomic,
molecular, and solid-state physics and are progressively directing their footsteps toward …

A review on non‐relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules

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 …

Photodissociation and photoionization of molecules of astronomical interest-Updates to the Leiden photodissociation and photoionization cross section database

HR Hrodmarsson, EF Van Dishoeck - Astronomy & Astrophysics, 2023 - aanda.org
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 …

Attosecond photoionization delays in the vicinity of molecular Feshbach resonances

VJ Borràs, J González-Vázquez, L Argenti, F Martín - Science advances, 2023 - science.org
Temporal delays extracted from photoionization phases are currently determined with
attosecond resolution by using interferometric methods. Such methods require special care …

The quantum chemistry of attosecond molecular science

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: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrödinger equation for general, multielectron atoms and molecules in intense …

AC Brown, GSJ Armstrong, J Benda… - Computer Physics …, 2020 - Elsevier
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 …

Resonant Photoionization of CO2 up to the Fourth Ionization Threshold

P Pranjal, J González-Vázquez, RY Bello… - The Journal of …, 2023 - ACS Publications
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 …

Quantum coherence in molecular photoionization

M Ruberti, S Patchkovskii, V Averbukh - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
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 …

Dialogue on analytical and ab initio methods in attoscience

GSJ Armstrong, MA Khokhlova, M Labeye… - The European Physical …, 2021 - Springer
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 …

Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states

E Villaseco Arribas, NT Maitra, F Agostini - The Journal of Chemical …, 2024 - pubs.aip.org
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 …