Ultrafast Nuclear Dynamics in Double-Core Ionized Water Molecules
Chemical Physics
2024-03-12 v3
Abstract
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 subsequent Auger emission spectra from the two isotopes provides direct evidence of ultrafast nuclear motion during the 1.5 fs lifetime of these DCH states. Our numerical results align well with the experimental data, providing for various DCH states an in-depth study of the dynamics responsible of the observed isotope effect.
Cite
@article{arxiv.2402.02988,
title = {Ultrafast Nuclear Dynamics in Double-Core Ionized Water Molecules},
author = {Iyas Ismail and Ludger Inhester and Tatiana Marchenko and Florian Trinter and Abhishek Verma and Alberto De Fanis and Anthony Ferte and Daniel E. Rivas and Dawei Peng and Dimitris Koulentianos and Edwin Kukk and Francis Penent and Gilles Doumy and Giuseppe Sansone and John D. Bozek and Kai Li and Linda Young and Markus Ilchen and Maria Novella Piancastelli and Michael Meyer and Nicolas Velasquez and Oksana Travnikova and Rebecca Boll and Renaud Guillemin and Reinhard Dorner and Richard Taieb and Simon Dold and Stephane Carniato and Thomas M. Baumann and Tommaso Mazza and Yevheniy Ovcharenko and Ralph Puttner and Marc Simon},
journal= {arXiv preprint arXiv:2402.02988},
year = {2024}
}