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

Rafael C Couto; Marco Guarise; Alessandro Nicolaou; Nicolas Jaouen; Gheorghe S Chiuzbăian; Jan Lüning; Victor Ekholm; Jan-Erik Rubensson; Conny Såthe; Franz Hennies; Victor Kimberg; Freddy F Guimarães; Hans Agren; Faris Gel'mukhanov; Loïc Journel; Marc Simon

doi:10.1038/srep20947

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

Rafael C Couto, Marco Guarise, Alessandro Nicolaou, Nicolas Jaouen, Gheorghe S Chiuzbăian, Jan Lüning, Victor Ekholm, Jan-Erik Rubensson, Conny Såthe, Franz Hennies, Victor Kimberg, Freddy F Guimarães, Hans Agren, Faris Gel'mukhanov, Loïc Journel, Marc Simon

MAX IV Laboratory

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

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.

Original language	English
Article number	20947
Journal	Scientific Reports
Volume	6
DOIs	https://doi.org/10.1038/srep20947
Publication status	Published - 2016

Subject classification (UKÄ)

Physical Chemistry (including Surface- and Colloid Chemistry)

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10.1038/srep20947

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Couto, R. C., Guarise, M., Nicolaou, A., Jaouen, N., Chiuzbăian, G. S., Lüning, J., Ekholm, V., Rubensson, J.-E., Såthe, C., Hennies, F., Kimberg, V., Guimarães, F. F., Agren, H., Gel'mukhanov, F., Journel, L., & Simon, M. (2016). Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing. Scientific Reports, 6, Article 20947. https://doi.org/10.1038/srep20947

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title = "Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing.",

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.",

author = "Couto, {Rafael C} and Marco Guarise and Alessandro Nicolaou and Nicolas Jaouen and Chiuzb{\u a}ian, {Gheorghe S} and Jan L{\"u}ning and Victor Ekholm and Jan-Erik Rubensson and Conny S{\aa}the and Franz Hennies and Victor Kimberg and Guimar{\~a}es, {Freddy F} and Hans Agren and Faris Gel'mukhanov and Lo{\"i}c Journel and Marc Simon",

year = "2016",

doi = "10.1038/srep20947",

language = "English",

volume = "6",

journal = "Scientific Reports",

issn = "2045-2322",

publisher = "Nature Publishing Group",

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Couto, RC, Guarise, M, Nicolaou, A, Jaouen, N, Chiuzbăian, GS, Lüning, J, Ekholm, V, Rubensson, J-E, Såthe, C , Hennies, F, Kimberg, V, Guimarães, FF, Agren, H, Gel'mukhanov, F, Journel, L & Simon, M 2016, 'Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing.', Scientific Reports, vol. 6, 20947. https://doi.org/10.1038/srep20947

TY - JOUR

T1 - Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing.

AU - Couto, Rafael C

AU - Guarise, Marco

AU - Nicolaou, Alessandro

AU - Jaouen, Nicolas

AU - Chiuzbăian, Gheorghe S

AU - Lüning, Jan

AU - Ekholm, Victor

AU - Rubensson, Jan-Erik

AU - Såthe, Conny

AU - Hennies, Franz

AU - Kimberg, Victor

AU - Guimarães, Freddy F

AU - Agren, Hans

AU - Gel'mukhanov, Faris

AU - Journel, Loïc

AU - Simon, Marc

PY - 2016

Y1 - 2016

N2 - 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.

AB - 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.

U2 - 10.1038/srep20947

DO - 10.1038/srep20947

M3 - Article

C2 - 26860458

SN - 2045-2322

VL - 6

JO - Scientific Reports

JF - Scientific Reports

M1 - 20947

ER -

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

Abstract

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