The Resource Quantum Dynamics and Laser Control for Photochemistry, by Matthieu Sala, (electronic resource)

Quantum Dynamics and Laser Control for Photochemistry, by Matthieu Sala, (electronic resource)

Label
Quantum Dynamics and Laser Control for Photochemistry
Title
Quantum Dynamics and Laser Control for Photochemistry
Statement of responsibility
by Matthieu Sala
Creator
Contributor
Author
Provider
Subject
Language
eng
Summary
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 of the interaction of light and matter at the molecular level. It provides a general quantum mechanical framework for the description of chemical processes guided by laser pulses, in particular near conical intersections, i.e. geometries where the nuclear and electronic motions couple and the molecule undergoes non-adiabatic (or non-Born-Oppenheimer) dynamics. In close collaboration with experimentalists, the author succeeds in making a decisive step to link and to apply quantum physics to chemistry by transferring state of the art techniques and concepts developed in physics to chemistry, such as âlight dressed atoms and moleculesâ and âadiabatic Floquet theoryâ. He applies these techniques in three prototypic model systems (aniline, pyrazine and NHD2) using high-level electronic structure calculations. Readers will enjoy the comprehensive and accessible introduction to the topic and methodology, as well as the clear structure of the thesis
Member of
http://library.link/vocab/creatorName
Sala, Matthieu
Image bit depth
0
LC call number
QD450-801
Literary form
non fiction
http://library.link/vocab/relatedWorkOrContributorName
SpringerLink
Series statement
Springer Theses, Recognizing Outstanding Ph.D. Research,
http://library.link/vocab/subjectName
  • Chemistry
  • Chemoinformatics
  • Chemometrics
  • Chemistry, Physical and theoretical
  • Quantum physics
  • Atoms
  • Physics
  • Matter
  • Chemistry
  • Theoretical and Computational Chemistry
  • Quantum Physics
  • Math. Applications in Chemistry
  • Atoms and Molecules in Strong Fields, Laser Matter Interaction
  • Computer Applications in Chemistry
Label
Quantum Dynamics and Laser Control for Photochemistry, by Matthieu Sala, (electronic resource)
Instantiates
Publication
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
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 nÏâ 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
Dimensions
unknown
Edition
1st ed. 2016.
Extent
XIII, 189 p. 54 illus., 13 illus. in color.
File format
multiple file formats
Form of item
electronic
Isbn
9783319289793
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other control number
10.1007/978-3-319-28979-3
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
(DE-He213)978-3-319-28979-3
Label
Quantum Dynamics and Laser Control for Photochemistry, by Matthieu Sala, (electronic resource)
Publication
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
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 nÏâ 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
Dimensions
unknown
Edition
1st ed. 2016.
Extent
XIII, 189 p. 54 illus., 13 illus. in color.
File format
multiple file formats
Form of item
electronic
Isbn
9783319289793
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other control number
10.1007/978-3-319-28979-3
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
(DE-He213)978-3-319-28979-3

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