Quantum Dynamics and Laser Control for Photochemistry

ISBN-13: 9783319804668 / Angielski / Miękka / 2018 / 189 str.

Matthieu Sala

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.