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