Time-resolved photoelectron spectroscopy (TRPES) has become one of the most widespread techniques for probing nonadiabatic dynamics in the excited electronic states of …
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 …
We present a time-linear scaling method to simulate open and correlated quantum systems out of equilibrium. The method inherits from many-body perturbation theory the possibility 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 …
Simulations of interacting electrons and bosons out of equilibrium, starting from first principles and aiming at realistic multiscale scenarios, is a grand theoretical challenge …
M Ridley, NW Talarico, D Karlsson… - Journal of Physics A …, 2022 - iopscience.iop.org
We review one of the most versatile theoretical approaches to the study of time-dependent correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) …
We show how ultrafast gas-phase X-ray and electron diffraction signals can be combined to generate real-space movies of charge migration dynamics in molecules. Charge migration …
L He, Y He, S Sun, E Goetz, AT Le, X Zhu… - Advanced …, 2023 - spiedigitallibrary.org
In quantum mechanics, when an electron is quickly ripped off from a molecule, a superposition of new eigenstates of the cation creates an electron wave packet that governs …
We study the ultrafast dynamics initiated by a coherent superposition of core-excited states of nitrous oxide molecule. Using high-level ab initio methods, we show that the decoherence …