Heidelberg 2015 – scientific programme
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MO: Fachverband Molekülphysik
MO 20: Theory: Molecular Dynamics
MO 20.2: Talk
Thursday, March 26, 2015, 15:00–15:15, PH/SR106
Dynamics of H2+ in intense laser fields: Full-dimensional approximate quantum-mechanical description of dissociation and ionization — •Tobias Fiedlschuster, Jan Handt, Frank Grossmann, and Rüdiger Schmidt — Technische Universität Dresden
So far, even for nature’s simplest molecule H2+, no exact quantum-mechanical description of the laser-induced dynamics (i. e., simultaneously including vibration, rotation, dissociation and ionization) has been achieved.
In this work, we present a full-dimensional approximate quantum-mechanical treatment. It is based on the extension of a recently developed ab-initio Born-Oppenheimer surface hopping approach (M. Fischer, J. Handt and R. Schmidt, Phys.Rev. A 90, 012525 (2014), ibid 012526, ibid 012527) to hopping between Floquet surfaces.
The obtained results for dissociation and ionization are in very good agreement with recent experimental data (J. McKenna et al., Phys. Rev. A 85, 023405 (2012)).
The extension of the method to many-electron molecules is discussed.