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 …

Nanoparticle radio-enhancement: principles, progress and application to cancer treatment

Z Kuncic, S Lacombe - Physics in Medicine & Biology, 2018 - iopscience.iop.org
Enhancement of radiation effects by high-atomic number nanoparticles (NPs) has been
increasingly studied for its potential to improve radiotherapeutic efficacy. The underlying …

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 …

Attosecond spectroscopy of liquid water

I Jordan, M Huppert, D Rattenbacher, M Peper… - Science, 2020 - science.org
Electronic dynamics in liquids are of fundamental importance, but time-resolved experiments
have so far remained limited to the femtosecond time scale. We report the extension of …

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 …

A hitherto unrecognized source of low-energy electrons in water

M Mucke, M Braune, S Barth, M Förstel, T Lischke… - Nature Physics, 2010 - nature.com
Low-energy electrons are the most abundant product of ionizing radiation in condensed
matter. The origin of these electrons is most commonly understood to be secondary …

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 …

Attosecond spectroscopy of size-resolved water clusters

X Gong, S Heck, D Jelovina, C Perry, K Zinchenko… - Nature, 2022 - nature.com
Electron dynamics in water are of fundamental importance for a broad range of phenomena,–
, but their real-time study faces numerous conceptual and methodological challenges …

Machine learning accelerates quantum mechanics predictions of molecular crystals

Y Han, I Ali, Z Wang, J Cai, S Wu, J Tang, L Zhang… - Physics Reports, 2021 - Elsevier
Quantum mechanics (QM) approaches (DFT, MP2, CCSD (T), etc.) play an important role in
calculating molecules and crystals with a high accuracy and acceptable efficiency. In recent …