Quantum Dynamics and Laser Control for Photochemistry

ISBN-13: 9783319289786 / Angielski / Twarda / 2016 / 189 str.

Matthieu Sala

Opis

The central subject of this thesis is the theoretical description of ultrafast dynamical processes in molecular systems of chemical interest and their control by laser pulses.

Spis treści

Part I General introduction: Introduction.-

Part II Theoretical studies in photophysics and photochemistry: applications to aniline and pyrazine: Basic concepts and methodology.- Exploration of the potential energy landscape of aniline using CASSCF and XMCQDPT2 electronic structure calculations.- Theory of nuclear quantum dynamics simulations.- The role of the low-lying nπ∗ states on the photophysics of pyrazine.- 

Part III Laser control of unimolecular processes: Theoretical tools for the description of strong field laser-molecule interaction.- Laser control of the radiationless decay in pyrazine using the dynamic Stark effect.- Laser driven tunneling dynamics in NHD2.- 

Part IV Conclusion: Conclusion.- 

Appendices: A Basis sets for electronic structure calculations.- B Appendices for laser control of the radiationless decay in pyrazine using the dynamic Stark effect.- C Appendices for enhancement of tunneling in NHD2.- D Appendices for the coherent destruction of tunneling in NHD2.