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Potential Energy Surface Reconstruction and Lifetime Determination of Molecular Double-Core-Hole States in the Hard X-Ray Regime.

Author
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
Journal
:
Physical review letters
Volume
:
119
Issue
:
13
Number of Pages
:
133001
Date Published
:
2017
ISSN Number
:
0031-9007
URL
:
http://link.aps.org/abstract/PRL/v119/p133001
DOI
:
10.1103/PhysRevLett.119.133001
Short Title
:
Phys Rev Lett
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