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 …

Biomolecular damage induced by ionizing radiation: the direct and indirect effects of low-energy electrons on DNA

E Alizadeh, TM Orlando, L Sanche - Annual review of physical …, 2015 - annualreviews.org
Many experimental and theoretical advances have recently allowed the study of direct and
indirect effects of low-energy electrons (LEEs) on DNA damage. In an effort to explain how …

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 …

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 …

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 …

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 …

The role of metal ions in X-ray-induced photochemistry

V Stumpf, K Gokhberg, LS Cederbaum - Nature chemistry, 2016 - nature.com
Metal centres in biomolecules are recognized as being particularly sensitive to radiation
damage by X-ray photons. This results in such molecules being both susceptible to an …

Resonant Auger decay driving intermolecular Coulombic decay in molecular dimers

F Trinter, MS Schöffler, HK Kim, FP Sturm, K Cole… - Nature, 2014 - nature.com
In 1997, it was predicted that an electronically excited atom or molecule placed in a loosely
bound chemical system (such as a hydrogen-bonded or van-der-Waals-bonded cluster) …

Interatomic coulombic decay: the mechanism for rapid deexcitation of hollow atoms

RA Wilhelm, E Gruber, J Schwestka, R Kozubek… - Physical review …, 2017 - APS
The impact of a highly charged ion onto a solid gives rise to charge exchange between the
ion and target atoms, so that a slow ion gets neutralized in the vicinity of the surface. Using …