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Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing

The unique opportunity to study and control electron-nuclear quantum dynamics in coupled potentials offered by the resonant inelastic X-ray scattering (RIXS) technique is utilized to unravel an anomalously strong two-electron one-photon transition from core-excited to Rydberg final states in the CO...

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Autores principales: Couto, Rafael C., Guarise, Marco, Nicolaou, Alessandro, Jaouen, Nicolas, Chiuzbăian, Gheorghe S., Lüning, Jan, Ekholm, Victor, Rubensson, Jan-Erik, Såthe, Conny, Hennies, Franz, Kimberg, Victor, Guimarães, Freddy F., Agren, Hans, Gel’mukhanov, Faris, Journel, Loïc, Simon, Marc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4748233/
https://www.ncbi.nlm.nih.gov/pubmed/26860458
http://dx.doi.org/10.1038/srep20947
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author Couto, Rafael C.
Guarise, Marco
Nicolaou, Alessandro
Jaouen, Nicolas
Chiuzbăian, Gheorghe S.
Lüning, Jan
Ekholm, Victor
Rubensson, Jan-Erik
Såthe, Conny
Hennies, Franz
Kimberg, Victor
Guimarães, Freddy F.
Agren, Hans
Gel’mukhanov, Faris
Journel, Loïc
Simon, Marc
author_facet Couto, Rafael C.
Guarise, Marco
Nicolaou, Alessandro
Jaouen, Nicolas
Chiuzbăian, Gheorghe S.
Lüning, Jan
Ekholm, Victor
Rubensson, Jan-Erik
Såthe, Conny
Hennies, Franz
Kimberg, Victor
Guimarães, Freddy F.
Agren, Hans
Gel’mukhanov, Faris
Journel, Loïc
Simon, Marc
author_sort Couto, Rafael C.
collection PubMed
description The unique opportunity to study and control electron-nuclear quantum dynamics in coupled potentials offered by the resonant inelastic X-ray scattering (RIXS) technique is utilized to unravel an anomalously strong two-electron one-photon transition from core-excited to Rydberg final states in the CO molecule. High-resolution RIXS measurements of CO in the energy region of 12–14 eV are presented and analyzed by means of quantum simulations using the wave packet propagation formalism and ab initio calculations of potential energy curves and transition dipole moments. The very good overall agreement between the experimental results and the theoretical predictions allows an in-depth interpretation of the salient spectral features in terms of Coulomb mixing of “dark” with “bright” final states leading to an effective two-electron one-photon transition. The present work illustrates that the improved spectral resolution of RIXS spectra achievable today may call for more advanced theories than what has been used in the past.
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spelling pubmed-47482332016-02-17 Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing Couto, Rafael C. Guarise, Marco Nicolaou, Alessandro Jaouen, Nicolas Chiuzbăian, Gheorghe S. Lüning, Jan Ekholm, Victor Rubensson, Jan-Erik Såthe, Conny Hennies, Franz Kimberg, Victor Guimarães, Freddy F. Agren, Hans Gel’mukhanov, Faris Journel, Loïc Simon, Marc Sci Rep Article The unique opportunity to study and control electron-nuclear quantum dynamics in coupled potentials offered by the resonant inelastic X-ray scattering (RIXS) technique is utilized to unravel an anomalously strong two-electron one-photon transition from core-excited to Rydberg final states in the CO molecule. High-resolution RIXS measurements of CO in the energy region of 12–14 eV are presented and analyzed by means of quantum simulations using the wave packet propagation formalism and ab initio calculations of potential energy curves and transition dipole moments. The very good overall agreement between the experimental results and the theoretical predictions allows an in-depth interpretation of the salient spectral features in terms of Coulomb mixing of “dark” with “bright” final states leading to an effective two-electron one-photon transition. The present work illustrates that the improved spectral resolution of RIXS spectra achievable today may call for more advanced theories than what has been used in the past. Nature Publishing Group 2016-02-10 /pmc/articles/PMC4748233/ /pubmed/26860458 http://dx.doi.org/10.1038/srep20947 Text en Copyright © 2016, Macmillan Publishers Limited http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Couto, Rafael C.
Guarise, Marco
Nicolaou, Alessandro
Jaouen, Nicolas
Chiuzbăian, Gheorghe S.
Lüning, Jan
Ekholm, Victor
Rubensson, Jan-Erik
Såthe, Conny
Hennies, Franz
Kimberg, Victor
Guimarães, Freddy F.
Agren, Hans
Gel’mukhanov, Faris
Journel, Loïc
Simon, Marc
Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing
title Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing
title_full Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing
title_fullStr Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing
title_full_unstemmed Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing
title_short Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing
title_sort anomalously strong two-electron one-photon x-ray decay transitions in co caused by avoided crossing
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4748233/
https://www.ncbi.nlm.nih.gov/pubmed/26860458
http://dx.doi.org/10.1038/srep20947
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