Quantum Dynamics and Laser Control for Photochemistry

• Main Author: Sala, Matthieu (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2016.
• Edition: 1st ed. 2016.
• Series: Springer Theses, Recognizing Outstanding Ph.D. Research,
• Subjects: Chemistry.; Chemoinformatics.; Chemometrics.; Chemistry, Physical and theoretical.; Quantum physics.; Atoms.; Physics.; Matter.; Theoretical and Computational Chemistry.; Quantum Physics.; Math. Applications in Chemistry.; Atoms and Molecules in Strong Fields, Laser Matter Interaction.; Computer Applications in Chemistry.

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. This work encompasses different cutting-edge methods in quantum chemistry, quantum dynamics and for the rigorous description...

Table of Contents:

• 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.