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Updated: Apr 18, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the
S Carniato1, P Selles1, L Andric1
1Laboratoire 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.
Abstract:
We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K(-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(-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.
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