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Content archived on 2024-06-10

Molecules in strong femto-second laser pulses

Objective



Research objectives and content The goal of this project is the theoretical description of molecules and clusters in super-intense femto-second laser pulses. Sin the advent of high-power laser sources, a wealth of new highly non-linear phenomena has been observed such as the multiphoton ionization with subsequent Coulomb explosion of the molecule. As the electronic motion is intimately coupled t' the nuclear motion how such processes, a fully quantum mechanical treatment of both the electronic and the nuclear degrees of freedom is mandatory. We propose to treat this problem using time-dependent, two-component density functional theory (DF because of its numerical simplicity and tremendous success in the case of stationary many-body systems. Furthermore, one component time-dependent DFT has already been applied very successfully by the theory group of Prof. Gross to describe atoms in strong laser pulses. This expertise of the host institute combined with the previous experience of the candidate on static multi-component DFT promise that a significant contribution will be made to the understanding of the interaction of molecular system with strong electromagnetic fields. Training content (objective, benefit and expected impact) The training of the candidate on time-dependent density functional methods and their application to the interaction of molecular systems with electromagnetic fie1ds, complements his previous knowledge on static DFT. In the group of Prof. Gro large-scale computer codes (using massive parallelization) have been developed and very successfully applied to describe atoms in superintense laser pulses. Running and handling these codes will be an important part of the candidate's training. Hi experience will be valuable later in setting up a strong theory team in Greece at his home institute under Prof. Theophilou. Links with industry / industrial relevance (22) Theoretical predictions witl be made on how the laser alters the reactivity of molecules as a first step towards the control of chemical reactions by strong laser pulses.

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Funding Scheme

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Coordinator

Aristotle University of Thessaloniki
EU contribution
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Address
Analytical Chemistry Lab
54006 Thessaloniki
Greece

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Total cost

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