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Potential Energy Surface Reconstruction and Lifetime Determination of Molecular Double-Core-Hole States in the Hard X-Ray Regime
UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France.;Synchrotron SOLEIL, Orme Merisiers, BP 48, F-91192 Gif Sur Yvette, France..
UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France.;Max Born Inst, Max Born Str 2A, D-12489 Berlin, Germany..
Univ Oulu, Nano & Mol Syst Res Unit, POB 3000, Oulu 90014, Finland..
UPMC Univ Paris 06, Sorbonne Univ, Lab Chim Phys Matiere & Rayonnement, CNRS,UMR 7614, F-75005 Paris, France.;Synchrotron SOLEIL, Orme Merisiers, BP 48, F-91192 Gif Sur Yvette, France..
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2017 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 119, no 13, article id 133001Article in journal (Refereed) Published
Abstract [en]

A combination of resonant inelastic x-ray scattering and resonant Auger spectroscopy provides complementary information on the dynamic response of resonantly excited molecules. This is exemplified for CH3I, for which we reconstruct the potential energy surface of the dissociative I 3d(-2) double-core-hole state and determine its lifetime. The proposed method holds a strong potential for monitoring the hard x-ray induced electron and nuclear dynamic response of core-excited molecules containing heavy elements, where ab initio calculations of potential energy surfaces and lifetimes remain challenging.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2017. Vol. 119, no 13, article id 133001
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Physical Sciences
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URN: urn:nbn:se:uu:diva-336816DOI: 10.1103/PhysRevLett.119.133001ISI: 000411995400005OAI: oai:DiVA.org:uu-336816DiVA, id: diva2:1168213
Funder
Swedish Research CouncilAvailable from: 2017-12-20 Created: 2017-12-20 Last updated: 2017-12-20Bibliographically approved

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Piancastelli, Maria Novella

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