Parity violation in resonant inelastic soft x-ray scattering at entangled core holes

J Söderström, A Ghosh, L Kjellsson, V Ekholm… - Science …, 2024 - science.org
Resonant inelastic x-ray scattering (RIXS) is a major method for investigation of electronic
structure and dynamics, with applications ranging from basic atomic physics to materials …

Experimental verification of the chemical sensitivity of two-site double core-hole states formed by an x-ray free-electron laser

P Salén, P van der Meulen, HT Schmidt, RD Thomas… - Physical review …, 2012 - APS
We have performed x-ray two-photon photoelectron spectroscopy using the Linac Coherent
Light Source x-ray free-electron laser in order to study double core-hole (DCH) states of CO …

X-Ray Absorption Spectrum of the Molecular Ion

R Lindblad, L Kjellsson, RC Couto, M Timm, C Bülow… - Physical Review Letters, 2020 - APS
The x-ray absorption spectrum of N 2+ in the K-edge region has been measured by
irradiation of ions stored in a cryogenic radio frequency ion trap with synchrotron radiation …

[HTML][HTML] Efficient electronic structure calculation for molecular ionization dynamics at high x-ray intensity

Y Hao, L Inhester, K Hanasaki, SK Son… - Structural Dynamics, 2015 - pubs.aip.org
We present the implementation of an electronic-structure approach dedicated to ionization
dynamics of molecules interacting with x-ray free-electron laser (XFEL) pulses. In our …

Density Functional Theory Modeling the Interfacial Chemistry of the LiNO3 Additive for Lithium–Sulfur Batteries by Means of Simulated Photoelectron Spectroscopy

M Ebadi, MJ Lacey, D Brandell… - The Journal of Physical …, 2017 - ACS Publications
Lithium–sulfur (Li–S) batteries are considered candidates for next-generation energy
storage systems due to their high theoretical specific energy. There exist, however, some …

Symmetry-dependent vibrational excitation in N 1s photoionization of N2: Experiment and theory

M Ehara, H Nakatsuji, M Matsumoto… - The Journal of …, 2006 - pubs.aip.org
We have measured the vibrational structures of the N 1 s photoelectron mainline and
satellites of the gaseous N 2 molecule with the resolution better than 75 meV⁠. The gerade …

Argon Auger spectrum: Initial states, core-hole lifetimes, shake, and knock-down processes

R Püttner, P Holzhey, M Hrast, M Žitnik, G Goldsztejn… - Physical Review A, 2020 - APS
State-of-the-art argon KLL Auger spectra measured using photon energies of h ν= 3216 and
3400 eV are presented along with an Ar [1 s] photoelectron spectrum (square brackets …

Potential energy curves of molecular nitrogen for singly and doubly ionized states with core and valence holes

D Bhattacharya, KR Shamasundar… - The Journal of …, 2021 - ACS Publications
Theoretical description of potential energy curves (PECs) of molecular ions is essential for
interpretation and prediction of coupled electron-nuclear dynamics following ionization of …

Experimental and theoretical near-edge x-ray-absorption fine-structure studies of

R Lindblad, L Kjellsson, E De Santis, V Zamudio-Bayer… - Physical Review A, 2022 - APS
Experimental near-edge x-ray-absorption fine-structure (NEXAFS) spectra of the nitrosonium
NO+ ion are presented and theoretically analyzed. While neutral NO has an open shell, the …

Potential energy surfaces of core-hole and shake-up states for dissociative ionization studies

I Corral, J Gonzalez-Vazquez… - Journal of Chemical …, 2017 - ACS Publications
The theoretical description of core-hole and core-hole excited (shake-up) states resulting
from the interaction of a molecule with X-ray free-electron lasers, attosecond pulses, and …