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Modélisation de spectroscopie moléculaire par paquets d'électrons attosecondes

Abstract : On the basis of previous numerical simulations for atomic targets, we develop a model to describe high-orderharmonic generation in molecules subjected to short and intense laser pulses. In this process, anelectron wavepacket launched through ionization is driven by the field and comes back to the molecular ioniccore that it probes on the attosecond timescale. Our model, to which we refer to as molCTMC-QUEST,describes ionization and electron propagation into the continuum classically, in terms of electron trajectories, while photorecombination is described quantum mechanically. We present the methodology that wehave built, and we later apply it to harmonic generation in water molecules. After simulations in which themolecules remain frozen in their equilibrium geometry throughout the interaction, we explicitly take intoaccount nuclear vibration between ionization and recombination. molCTMC-QUEST provides a quantitativedescription of the generation process combined with an intuitive picture of the interaction inherent in theclassical description of electron dynamics.
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Alex Clergerie. Modélisation de spectroscopie moléculaire par paquets d'électrons attosecondes. Micro et nanotechnologies/Microélectronique. Université de Bordeaux, 2019. Français. ⟨NNT : 2019BORD0243⟩. ⟨tel-02490356⟩

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