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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 LU and Hennies, Franz LU , et al. (2016) In Scientific Reports 6.
Abstract
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... (More)
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. (Less)
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Scientific Reports
volume
6
publisher
Nature Publishing Group
external identifiers
  • pmid:26860458
  • scopus:84957534824
  • wos:000369829300001
ISSN
2045-2322
DOI
10.1038/srep20947
language
English
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yes
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7586c180-6798-4b17-b853-53dfe96a2b5f (old id 8826044)
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2016-03-04 09:41:32
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2017-01-01 05:39:41
@article{7586c180-6798-4b17-b853-53dfe96a2b5f,
  abstract     = {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.},
  articleno    = {20947},
  author       = {Couto, Rafael C and Guarise, Marco and Nicolaou, Alessandro and Jaouen, Nicolas and Chiuzbăian, Gheorghe S and Lüning, Jan and Ekholm, Victor and Rubensson, Jan-Erik and Såthe, Conny and Hennies, Franz and Kimberg, Victor and Guimarães, Freddy F and Agren, Hans and Gel'mukhanov, Faris and Journel, Loïc and Simon, Marc},
  issn         = {2045-2322},
  language     = {eng},
  publisher    = {Nature Publishing Group},
  series       = {Scientific Reports},
  title        = {Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing.},
  url          = {http://dx.doi.org/10.1038/srep20947},
  volume       = {6},
  year         = {2016},
}