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Potential Energy Surface Reconstruction and Lifetime Determination of Molecular Double-Core-Hole States in the Hard X-Ray Regime
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2017 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 119, no 13, 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, 133001
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Physical Sciences
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URN: urn:nbn:se:kth:diva-215814DOI: 10.1103/PhysRevLett.119.133001ISI: 000411995400005Scopus ID: 2-s2.0-85030183500OAI: oai:DiVA.org:kth-215814DiVA: diva2:1149978
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QC 20171017

Available from: 2017-10-17 Created: 2017-10-17 Last updated: 2017-10-17Bibliographically approved

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Gel'mukhanov, Faris

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