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

doi:10.1063/1.4904273

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

^*Corresponding author for this work

Faculty of Liberal Arts and Sciences

Research output: Contribution to journal › Article › peer-review

40 Scopus citations

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 language	English
Article number	014307
Journal	Journal of Chemical Physics
Volume	142
Issue number	1
DOIs	https://doi.org/10.1063/1.4904273
State	Published - 2015/01/07

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.4904273

Cite this

Carniato, S., Selles, P., Andric, L., Palaudoux, J., Penent, F., Žitnik, M., Bučar, K., Nakano, M., Hikosaka, Y., Ito, K., & Lablanquie, P. (2015). Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H₂O. Journal of Chemical Physics, 142(1), Article 014307. https://doi.org/10.1063/1.4904273

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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.",

author = "S. Carniato and P. Selles and L. Andric and J. Palaudoux and F. Penent and M. {\v Z}itnik and K. Bu{\v c}ar and M. Nakano and Y. Hikosaka and K. Ito and P. Lablanquie",

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Carniato, S, Selles, P, Andric, L, Palaudoux, J, Penent, F, Žitnik, M, Bučar, K, Nakano, M, Hikosaka, Y, Ito, K & Lablanquie, P 2015, 'Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H₂O', Journal of Chemical Physics, vol. 142, no. 1, 014307. https://doi.org/10.1063/1.4904273

TY - JOUR

T1 - Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H2O

AU - Carniato, S.

AU - Selles, P.

AU - Andric, L.

AU - Palaudoux, J.

AU - Penent, F.

AU - Žitnik, M.

AU - Bučar, K.

AU - Nakano, M.

AU - Hikosaka, Y.

AU - Ito, K.

AU - Lablanquie, P.

PY - 2015/1/7

Y1 - 2015/1/7

N2 - 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.

AB - 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.

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