Quantum Dynamics and Laser Control for Photochemistry

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 n?? 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 thecoherent destruction of tunneling in NHD2.

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• Química quântica e teórica
• Física atómica e molecular
• A física quântica (mecânica quântica e teoria quântica de campos)
• Química física

Molecular quantum dynamics;Adiabatic Floquet theory;Conical intersections;Ultrafast dynamical processes;Photochemical dynamics;Laser control of molecular processes;Photophysical processes;Excited state dynamics;Molecular tunneling dynamics;Potential energy surfaces;Dark and bright states;Non-resonant laser pulses;Non-resonant dynamic Stark effect