Potential Energy Surface Reconstruction and Lifetime Determination of Molecular Double-Core-Hole States in the Hard X-Ray Regime.
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Abstract |
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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 CH_{3}I, 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. |
Year of Publication |
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2017
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Journal |
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Physical review letters
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Volume |
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119
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Issue |
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13
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Number of Pages |
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133001
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Date Published |
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2017
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ISSN Number |
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0031-9007
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URL |
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http://link.aps.org/abstract/PRL/v119/p133001
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DOI |
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10.1103/PhysRevLett.119.133001
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Short Title |
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Phys Rev Lett
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