Potential energy surface reconstruction and lifetime determination of molecular double-core-hole states in the hard x-ray regime
Marchenko, T.; Goldsztejn, G.; Jänkälä, K.; Travnikova, O.; Journel, L.; Guillemin, R.; Sisourat, N.; Céolin, D.; Žitnik, M.; Kavčič, M.; Bučar, K.; Mihelič, A.; de Miranda, B. Cunha; Ismail, I.; Lago, A. F.; Gel’mukhanov, F.; Püttner, R.; Piancastelli, M. N.; Simon, M. (2017-09-27)
Marchenko, T., Goldsztejn, G., Jänkälä, K., Travnikova, O., Journel, L., Guillemin, R., Sisourat, N., Céolin, D., Žitnik, M., Kavčič, M., Bučar, K., Mihelič, A., de Miranda, B., Ismail, I., Lago, A., Gel’mukhanov, F., Püttner, R., Piancastelli, M., Simon, M. (2017) Potential Energy Surface Reconstruction and Lifetime Determination of Molecular Double-Core-Hole States in the Hard X-Ray Regime. Physical Review Letters, 119 (13), 133001. doi:10.1103/PhysRevLett.119.133001
© 2017 American Physical Society.
https://rightsstatements.org/vocab/InC/1.0/
https://urn.fi/URN:NBN:fi-fe201804036303
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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 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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