Multi-reference approach to the computation of double core-hole spectra

BNC Tenorio, P Decleva, S Coriani - The Journal of Chemical Physics, 2021 - pubs.aip.org
Double Core-Hole (DCH) states of small molecules are assessed with the restricted active
space self-consistent field and multi-state restricted active space perturbation theory of …

Ultrafast nuclear dynamics in double-core-ionized water molecules

I Ismail, L Inhester, T Marchenko, F Trinter, A Verma… - Physical Review A, 2024 - APS
Double-core-hole (DCH) states in isolated-water and heavy-water molecules, resulting from
the sequential absorption of two x-ray photons, have been investigated. A comparison of the …

Resonant double-core excitations with ultrafast, intense X-ray pulses

AEA Fouda, D Koulentianos, L Young, G Doumy… - Molecular …, 2023 - Taylor & Francis
Intense few-to-sub-femtosecond soft X-ray pulses can produce neutral, two-site excited
double-core-hole states by promoting two core electrons to the same unoccupied molecular …

Formation and relaxation of K− 2 and K− 2V double-core-hole states in n-butane

D Koulentianos, V Carravetta, RC Couto… - The Journal of …, 2022 - pubs.aip.org
Using a magnetic bottle multi-electron time-of-flight spectrometer in combination with
synchrotron radiation, double-core-hole pre-edge and continuum states involving the K-shell …

The OK− 2 V spectrum of CO: the influence of the second core-hole

D Koulentianos, S Carniato, R Püttner… - Physical Chemistry …, 2021 - pubs.rsc.org
Using synchrotron radiation in the tender X-ray regime, a photoelectron spectrum showing
the formation of single site double-core-hole pre-edge states, involving the K shell of the O …

[HTML][HTML] Site-specific generation of excited state wavepackets with high-intensity attosecond x rays

AEA Fouda, PJ Ho - The Journal of Chemical Physics, 2021 - pubs.aip.org
High-intensity attosecond x rays can produce coherent superpositions of valence-excited
states through two-photon Raman transitions. The broad-bandwidth, high-field nature of the …

[PDF][PDF] Investigation of inner-shell and subsequent field-induced processes in mono-and diatomic systems

MK Ganesa Subramanian - 2022 - ediss.sub.uni-hamburg.de
With advent of modern experimental techniques using light sources, the dynamics initiated
by inner-shell processes such as, inner-shell ionization followed by Auger-decay, and their …