Ultrafast Nuclear Dynamics in Double-Core Ionized Water Molecules

Iyas Ismail; Ludger Inhester; Tatiana Marchenko; Florian Trinter; Abhishek Verma; Alberto De Fanis; Anthony Ferte; Daniel E. Rivas; Dawei Peng; Dimitris Koulentianos; Edwin Kukk; Francis Penent; Gilles Doumy; Giuseppe Sansone; John D. Bozek; Kai Li; Linda Young; Markus Ilchen; Maria Novella Piancastelli; Michael Meyer; Nicolas Velasquez; Oksana Travnikova; Rebecca Boll; Renaud Guillemin; Reinhard Dorner; Richard Taieb; Simon Dold; Stephane Carniato; Thomas M. Baumann; Tommaso Mazza; Yevheniy Ovcharenko; Ralph Puttner; Marc Simon

arXiv · 2402.02988

Ultrafast Nuclear Dynamics in Double-Core Ionized Water Molecules

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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.

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Iyas Ismail, Ludger Inhester, Tatiana Marchenko, Florian Trinter, Abhishek Verma, Alberto De Fanis, Anthony Ferte, Daniel E. Rivas, Dawei Peng, Dimitris Koulentianos, Edwin Kukk, Francis Penent, Gilles Doumy, Giuseppe Sansone, John D. Bozek, Kai Li, Linda Young, Markus Ilchen, Maria Novella Piancastelli, Michael Meyer, Nicolas Velasquez, Oksana Travnikova, Rebecca Boll, Renaud Guillemin, Reinhard Dorner, Richard Taieb, Simon Dold, Stephane Carniato, Thomas M. Baumann, Tommaso Mazza, Yevheniy Ovcharenko, Ralph Puttner, Marc Simon. 2024-03-11. Ultrafast Nuclear Dynamics in Double-Core Ionized Water Molecules. https://arxiv.org/abs/2402.02988

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