Potential energy surface reconstruction and lifetime determination of molecular double-core-hole states in the hard x-ray regime
- Marchenko, T. (T.)
- Goldsztejn, G. (G.)
- Jänkälä, K. (K.)
- Travnikova, O. (O.)
- Journel, L. (L.)
- Guillemin, R. (R.)
- Sisourat, N. (N.)
- Céolin, D. (D.)
- Žitnik, M. (M.)
- Kavčič, M. (M.)
- Bučar, K. (K.)
- Mihelič, A. (A.)
- de Miranda, B. C. (B. Cunha)
- Ismail, I. (I.)
- Lago, A. F. (A. F.)
- Gel’mukhanov, F. (F.)
- Püttner, R. (R.)
- Piancastelli, M. N. (M. N.)
- Simon, M. (M.)
Publication date
January 2017
DOI Publisher
American Physical Society (APS) ISSN
0031-9007Abstract
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 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
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