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Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing
Royal Inst Technol, Sch Biotechnol, Theoret Chem & Biol, S-10691 Stockholm, Sweden.;Univ Fed Goias, Inst Quim, Campus Samambaia,CP 131, BR-74001970 Goiania, Go, Brazil..
Lab Nacl Luz Sincrotron, BR-10000 Campinas, Brazil.;Univ Paris 06, Univ Paris 04, Lab Chim Phys Matiere & Rayonnement, UMR7614, F-75005 Paris, France..
Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
Synchrotron SOLEIL, BP 48, F-91192 Gif Sur Yvette, France..
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2016 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 6, 20947Article in journal (Refereed) Published
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Abstract [en]

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.

Place, publisher, year, edition, pages
2016. Vol. 6, 20947
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Atom and Molecular Physics and Optics
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URN: urn:nbn:se:uu:diva-279560DOI: 10.1038/srep20947ISI: 000369829300001PubMedID: 26860458OAI: oai:DiVA.org:uu-279560DiVA: diva2:908441
Funder
Swedish National Infrastructure for Computing (SNIC), SNIC 2015/1-69Swedish National Infrastructure for Computing (SNIC), SNIC 023/07-18Swedish Research CouncilKnut and Alice Wallenberg FoundationSwedish Research Council
Available from: 2016-03-02 Created: 2016-03-02 Last updated: 2017-11-30Bibliographically approved

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Ekholm, VictorRubensson, Jan-Erik

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