Ultrafast nuclear dynamics in double-core-ionized water molecules

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 th...

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Veröffentlicht in:Physical review. A 2024-07, Vol.110 (1), Article 013108
Hauptverfasser: Ismail, Iyas, Inhester, Ludger, Marchenko, Tatiana, Trinter, Florian, Verma, Abhishek, De Fanis, Alberto, Ferté, Anthony, Rivas, Daniel E., Peng, Dawei, Koulentianos, Dimitris, Kukk, Edwin, Penent, Francis, Doumy, Gilles, Sansone, Giuseppe, Bozek, John D., Li, Kai, Young, Linda, Ilchen, Markus, Piancastelli, Maria Novella, Meyer, Michael, Velasquez, Nicolas, Travnikova, Oksana, Boll, Rebecca, Guillemin, Renaud, Dörner, Reinhard, Taïeb, Richard, Dold, Simon, Carniato, Stéphane, Baumann, Thomas M., Mazza, Tommaso, Ovcharenko, Yevheniy, Püttner, Ralph, Simon, Marc
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container_title Physical review. A
container_volume 110
creator Ismail, Iyas
Inhester, Ludger
Marchenko, Tatiana
Trinter, Florian
Verma, Abhishek
De Fanis, Alberto
Ferté, Anthony
Rivas, Daniel E.
Peng, Dawei
Koulentianos, Dimitris
Kukk, Edwin
Penent, Francis
Doumy, Gilles
Sansone, Giuseppe
Bozek, John D.
Li, Kai
Young, Linda
Ilchen, Markus
Piancastelli, Maria Novella
Meyer, Michael
Velasquez, Nicolas
Travnikova, Oksana
Boll, Rebecca
Guillemin, Renaud
Dörner, Reinhard
Taïeb, Richard
Dold, Simon
Carniato, Stéphane
Baumann, Thomas M.
Mazza, Tommaso
Ovcharenko, Yevheniy
Püttner, Ralph
Simon, Marc
description 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.
doi_str_mv 10.1103/PhysRevA.110.013108
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title Ultrafast nuclear dynamics in double-core-ionized water molecules
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