Interatomic and intermolecular Coulombic decay

T Jahnke, U Hergenhahn, B Winter, R Dörner… - Chemical …, 2020 - ACS Publications
Interatomic or intermolecular Coulombic decay (ICD) is a nonlocal electronic decay
mechanism occurring in weakly bound matter. In an ICD process, energy released by …

Interatomic and intermolecular Coulombic decay: the coming of age story

T Jahnke - Journal of Physics B: Atomic, Molecular and Optical …, 2015 - iopscience.iop.org
In pioneering work by Cederbaum et al an excitation mechanism was proposed that occurs
only in loosely bound matter (Cederbaum et al 1997 Phys. Rev. Lett. 79 4778): it turned out …

Radiation damage by extensive local water ionization from two-step electron-transfer-mediated decay of solvated ions

G Gopakumar, I Unger, P Slavíček, U Hergenhahn… - Nature …, 2023 - nature.com
Biomolecular radiation damage is largely mediated by radicals and low-energy electrons
formed by water ionization rather than by direct ionization of biomolecules. It was speculated …

Tunnelling of electrons via the neighboring atom

M Zhu, J Tong, X Liu, W Yang, X Gong… - Light: Science & …, 2024 - nature.com
As compared to the intuitive process that the electron emits straight to the continuum from its
parent ion, there is an alternative route that the electron may transfer to and be trapped by a …

Experimental evidence for ultrafast intermolecular relaxation processes in hydrated biomolecules

X Ren, E Wang, AD Skitnevskaya, AB Trofimov… - Nature Physics, 2018 - nature.com
Cell and gene damage caused by ionizing radiation has been studied for many years. It is
accepted that DNA lesions (single-and double-strand breaks, for example) are induced by …

Calculating core‐level excitations and X‐ray absorption spectra of medium‐sized closed‐shell molecules with the algebraic‐diagrammatic construction scheme for the …

J Wenzel, M Wormit, A Dreuw - Journal of Computational …, 2014 - Wiley Online Library
Core‐level excitations are generated by absorption of high‐energy radiation such as X‐rays.
To describe these energetically high‐lying excited states theoretically, we have …

Ultrafast energy transfer between π-stacked aromatic rings upon inner-valence ionization

X Ren, J Zhou, E Wang, T Yang, Z Xu, N Sisourat… - Nature Chemistry, 2022 - nature.com
Non-covalently bound aromatic systems are ubiquitous and govern the physicochemical
properties of various organic materials. They are important to many phenomena of biological …

Site-and energy-selective slow-electron production through intermolecular Coulombic decay

K Gokhberg, P Kolorenč, AI Kuleff, LS Cederbaum - Nature, 2014 - nature.com
Irradiation of matter with light tends to electronically excite atoms and molecules, with
subsequent relaxation processes determining where the photon energy is ultimately …

Triple ionization and fragmentation of benzene trimers following ultrafast intermolecular Coulombic decay

J Zhou, X Yu, S Luo, X Xue, S Jia, X Zhang… - Nature …, 2022 - nature.com
Intermolecular interactions involving aromatic rings are ubiquitous in biochemistry and they
govern the properties of many organic materials. Nevertheless, our understanding of the …

Analysis and comparison of CVS-ADC approaches up to third order for the calculation of core-excited states

J Wenzel, A Holzer, M Wormit, A Dreuw - The Journal of Chemical …, 2015 - pubs.aip.org
The extended second order algebraic-diagrammatic construction (ADC (2)-x) scheme for the
polarization operator in combination with core-valence separation (CVS) approximation is …