title: Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H2O.
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.
authors.affiliation: 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.
authors.forename: S
authors.initials: S
authors.lastname: Carniato
authors.affiliation: 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.
authors.forename: P
authors.initials: P
authors.lastname: Selles
authors.affiliation: 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.
authors.forename: L
authors.initials: L
authors.lastname: Andric
authors.affiliation: 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.
authors.forename: J
authors.initials: J
authors.lastname: Palaudoux
authors.affiliation: 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.
authors.forename: F
authors.initials: F
authors.lastname: Penent
authors.affiliation: Jozef Stefan Institute, P.O. Box 3000, SI-1001 Ljubljana, Slovenia.
authors.forename: M
authors.initials: M
authors.lastname: Žitnik
authors.affiliation: Jozef Stefan Institute, P.O. Box 3000, SI-1001 Ljubljana, Slovenia.
authors.forename: K
authors.initials: K
authors.lastname: Bučar
authors.affiliation: Department of Chemistry, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8551, Japan.
authors.forename: M
authors.initials: M
authors.lastname: Nakano
authors.affiliation: Department of Environmental Science, Niigata University, Niigata 950-2181, Japan.
authors.forename: Y
authors.initials: Y
authors.lastname: Hikosaka
authors.affiliation: Institute of Materials Structure Science, Photon Factory, Tsukuba, Ibaraki 305-0801, Japan.
authors.forename: K
authors.initials: K
authors.lastname: Ito
authors.affiliation: 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.
authors.forename: P
authors.initials: P
authors.lastname: Lablanquie