Quantum Dynamics And Laser Control For Photochemistry
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Quantum Dynamics And Laser Control For Photochemistry
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Author : Matthieu Sala
language : en
Publisher: Springer
Release Date : 2016-01-23
Quantum Dynamics And Laser Control For Photochemistry written by Matthieu Sala and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-01-23 with Science categories.
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 “light dressed atoms and molecules” and “adiabatic Floquet theory”. 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.
Molecular Quantum Dynamics
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Author : Fabien Gatti
language : en
Publisher: Springer Science & Business Media
Release Date : 2014-04-09
Molecular Quantum Dynamics written by Fabien Gatti and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-04-09 with Science categories.
This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.
Applications Of Quantum Dynamics In Chemistry
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Author : Fabien Gatti
language : en
Publisher: Springer
Release Date : 2017-09-05
Applications Of Quantum Dynamics In Chemistry written by Fabien Gatti and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-09-05 with Science categories.
This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysics, or anyone else who is interested in this rising method in theoretical chemistry, and who wants to gain experience in the opportunities it can offer. It can also be useful for teachers interested in illustrative examples of time-dependent quantum mechanics as animations of realistic wave packets have been designed to assist in visualization. Assuming a basic knowledge about quantum mechanics, the authors link their explanations to recent experimental investigations where Molecular Quantum Dynamics proved successful and necessary for the understanding of the experimental results. Examples including reactive scattering, photochemistry, tunneling, femto- and attosecond chemistry and spectroscopy, cold chemistry or crossed-beam experiments illustrate the power of the method. The book restricts complicated formalism to the necessary and in a self-contained and clearly explained way, offering the reader an introduction to, and instructions for, practical exercises. Continuative explanation and math are optionally supplemented for the interested reader. The reader learns how to apply example simulations with the MCTDH program package (Multi Configuration Time Dependent Hartree calculations). Readers can thus obtain the tools to run their own simulations and apply them to their problems. Selected scripts and program code from the examples are made available as supplementary material. This book bridges the gap between the existing textbooks on fundamental theoretical chemistry and research monographs focusing on sophisticated applications. It is a must-read for everyone who wants to gain a sound understanding of Molecular Quantum Dynamics simulations and to obtain basic experience in running their own simulations.
Laser Spectroscopy And Photochemistry On Metal Surfaces
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Author : Hai-Lung Dai
language : en
Publisher: World Scientific
Release Date : 1995
Laser Spectroscopy And Photochemistry On Metal Surfaces written by Hai-Lung Dai and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
Using lasers to induce and probe surface processes has the advantages of quantum state specificity, species selectivity, surface sensitivity, fast time-resolution, high frequency resolution, and accessibility to full pressure ranges. These advantages make it highly desirable to use light to induce, control, or monitor surface chemical and physical processes. Recent applications of laser based techniques in studying surface processes have stimulated new developments and enabled the understanding of fundamental problems in energy transfer and reactions. This volume will include discussions on spectroscopic techniques, energy transfer, desorption dynamics, and photochemistry.
Elements Of Photoionization Quantum Dynamics Methods
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Author : Lampros A A Nikolopoulos
language : en
Publisher: Morgan & Claypool Publishers
Release Date : 2019-03-29
Elements Of Photoionization Quantum Dynamics Methods written by Lampros A A Nikolopoulos and has been published by Morgan & Claypool Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-03-29 with Science categories.
The dynamics of quantum systems exposed to ultrafast (at the femtosecond time-scale) and strong laser radiation has a highly non-linear character, leading to a number of new phenomena, outside the reach of traditional spectroscopy. The current laser technology makes feasible the probing and control of quantum-scale systems with fields that are as strong as the interatomic Coulombic interactions and time resolution that is equal to (or less than) typical atomic evolution times. It is indispensable that any theoretical description of the induced physical processes should rely on the accurate calculation of the atomic structure and a realistic model of the laser radiation as pulsed fields. This book aims to provide an elementary introduction of theoretical and computational methods and by no means is anywhere near to complete. The selection of the topics as well as the particular viewpoint is best suited for early-stage students and researchers; the included material belongs in the mainstream of theoretical approaches albeit using simpler language without sacrificing mathematical accuracy. Therefore, subjects such as the Hilbert vector-state, density-matrix operators, amplitude equations, Liouville equation, coherent laser radiation, free-electron laser, Dyson-chronological operator, subspace projection, perturbation theory, stochastic density-matrix equations, time-dependent Schrödinger equation, partial-wave analysis, spherical-harmonics expansions, basis and grid wavefunction expansions, ionization, electron kinetic-energy and angular distributions are presented within the context of laser-atom quantum dynamics.
Electronic And Nuclear Quantum Dynamics Of Molecules In Intense Laser Fields
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Author : Yuichi Fujimura
language : en
Publisher: Frontiers Media SA
Release Date : 2023-04-28
Electronic And Nuclear Quantum Dynamics Of Molecules In Intense Laser Fields written by Yuichi Fujimura and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-04-28 with Science categories.
Laser Spectroscopy And Photochemistry On Metal Surfaces
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Author : Hai-Lung Dai
language : en
Publisher: World Scientific
Release Date : 1995
Laser Spectroscopy And Photochemistry On Metal Surfaces written by Hai-Lung Dai and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
Using lasers to induce and probe surface processes has the advantages of quantum state specificity, species selectivity, surface sensitivity, fast time-resolution, high frequency resolution, and accessibility to full pressure ranges. These advantages make it highly desirable to use light to induce, control, or monitor surface chemical and physical processes. Recent applications of laser based techniques in studying surface processes have stimulated new developments and enabled the understanding of fundamental problems in energy transfer and reactions. This volume will include discussions on spectroscopic techniques, energy transfer, desorption dynamics, and photochemistry.
Molecular Spectroscopy And Quantum Dynamics
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Author : Roberto Marquardt
language : en
Publisher: Elsevier
Release Date : 2020-09-18
Molecular Spectroscopy And Quantum Dynamics written by Roberto Marquardt and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-18 with Science categories.
Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Photodissociation And Photoionisation
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Author : K. P. Lawley
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-08
Photodissociation And Photoionisation written by K. P. Lawley and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-08 with Science categories.
Experts in the field cover a wide range of theoretical and practical aspects of photodissociation and photoionization. This complete survey covers everything from laser isotope separation at the applied end to current theories of the quantum mechanics of photodissociation.
Theoretical Femtosecond Physics
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Author : Frank Grossmann
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-07-24
Theoretical Femtosecond Physics written by Frank Grossmann and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-07-24 with Science categories.
This volume offers theoretical investigations of atoms and molecules interacting with pulsed or continuous wave lasers. Theoretical background is included, and the text incorporates several exercises. Additional calculations are performed in the appendices.