Hannover 2013 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 4: Quantum Chemistry and Molecular Dynamics I
MO 4.4: Vortrag
Montag, 18. März 2013, 15:00–15:15, F 102
Following the non-Born-Oppenheimer electron dynamics after photoionization in the Zundel cation — •Zheng Li1,2, Mohamed El-Amine Madjet1, Oriol Vendrell1, and Robin Santra1, 2 — 1CFEL, DESY, Notkestr. 85, D-22607 Hamburg, Germany — 2Department of Physics, University of Hamburg, D-20355 Hamburg, Germany
To investigate the molecular non-Born-Oppenheimer effects, the Coulomb explosion after valence photoionization provides an excellent test-ground, since it is associated with ultrafast non-adiabatic electronic decay, and is experimentally practical with well developed techniques. We have employed full quantum (MCTDH) and quantum-classical approaches to study the Coulomb explosion of the Zundel dication H5O22+.
In the present study, we have calculated time-resolved observables that are able to provide a clear picture of the specific electronic and nuclear motions arising exclusively from the non-Born-Oppenheimer effects.
The Coulomb explosion experiments of molecular ions are suitable to be carried out with the XUV free electron laser FLASH, which can address the valence electrons for chemical reactions, meanwhile the high brightness of FEL offers sufficient signal strength, as illustrated experimentally [1].
[1] L. Lammich et al., Phys. Rev. Lett. 105, 253003 (2010).