Download e-book for kindle: Quantum Dynamics and Laser Control for Photochemistry by Matthieu Sala

By Matthieu Sala

The valuable topic of this thesis is the theoretical description of ultrafast dynamical strategies in molecular structures of chemical curiosity and their keep an eye on by way of laser pulses. This paintings encompasses various state of the art tools in quantum chemistry, quantum dynamics and for the rigorous description of the interplay of sunshine and topic on the molecular point. It presents a common quantum mechanical framework for the outline of chemical approaches guided through laser pulses, specifically close to conical intersections, i.e. geometries the place the nuclear and digital motions couple and the molecule undergoes non-adiabatic (or non-Born-Oppenheimer) dynamics. In shut collaboration with experimentalists, the writer succeeds in creating a decisive step to hyperlink and to use quantum physics to chemistry by means of moving state-of-the-art ideas and ideas built in physics to chemistry, akin to “light dressed atoms and molecules” and “adiabatic Floquet theory”. He applies those suggestions in 3 prototypic version platforms (aniline, pyrazine and NHD2) utilizing high-level digital constitution calculations. Readers will benefit from the entire and obtainable creation to the subject and technique, in addition to the transparent constitution of the thesis.

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Quantum Dynamics and Laser Control for Photochemistry (Springer Theses) by Matthieu Sala

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