Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H2O

S. Carniato, P. Selles, L. Andric, J. Palaudoux, F. Penent, M. Žitnik, K. Bučar, M. Nakano, Y. Hikosaka, K. Ito, P. Lablanquie

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31 Citations (Scopus)

Abstract

We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K-2V) and compare its predictions with experimental results obtained on the water molecule after photoionization by synchrotron radiation. Two resonances of different symmetries are assigned in the main K-2V peak and comparable contributions from monopolar (direct shake-up) and dipolar (conjugate shake-up) core-valence excitations are identified. The main peak is observed with a much greater width than the total experimental resolution. This broadening is the signature of nuclear dynamics.

Original languageEnglish
Article number014307
JournalJournal of Chemical Physics
Volume142
Issue number1
DOIs
Publication statusPublished - 2015 Jan 7
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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