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Title: Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H{sub 2}O

We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K{sup −2}V ) 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{sup −2}V 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.
Authors:
; ; ; ; ;  [1] ;  [2] ; ;  [3] ;  [4] ;  [5] ;  [6] ;  [7]
  1. Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, Sorbonne Université, UPMC University Paris 6, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)
  2. (UMR 7614), CNRS, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)
  3. Jozef Stefan Institute, P.O. Box 3000, SI-1001 Ljubljana (Slovenia)
  4. Department of Chemistry, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8551 (Japan)
  5. (Japan)
  6. Department of Environmental Science, Niigata University, Niigata 950-2181 (Japan)
  7. Institute of Materials Structure Science, Photon Factory, Tsukuba, Ibaraki 305-0801 (Japan)
Publication Date:
OSTI Identifier:
22415459
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 1; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; COMPARATIVE EVALUATIONS; CROSS SECTIONS; EXCITATION; K SHELL; MOLECULES; PHOTOIONIZATION; PHOTONS; RESOLUTION; RESONANCE; SYMMETRY; SYNCHROTRON RADIATION; VALENCE; WATER