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.

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.

Photonic Electronic And Atomic Collisions Proceedings Of The Xxiv International Conference

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Author : Roberto D Rivarola
language : en
Publisher: World Scientific
Release Date : 2006-11-29

Photonic Electronic And Atomic Collisions Proceedings Of The Xxiv International Conference written by Roberto D Rivarola and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-29 with Science categories.

This volume contains contributions covering a wide range of subjects in the area of photonic, electronic and atomic collisions. These include the collisions of heavy particles and electrons with atoms, molecules and clusters; the coherent control of reaction dynamics using lasers and electromagnetic fields with molecules, clusters and liquids; recent experimental progress in the synthesis of antihydrogen; the interaction of solar winds with cometary atmospheres, and the physical interpretation of reactions in biological systems./a

Introduction To Quantum Mechanics

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Author : David Tannor
language : en
Publisher: MIT Press
Release Date : 2008-02-01

Introduction To Quantum Mechanics written by David Tannor and has been published by MIT Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-02-01 with Science categories.

Introduction to Quantum Mechanics is a completely original manifesto, covering quantum mechanicsfrom a time-dependent perspective in a unified way from beginning to end. This text will change the way people think about and teachabout quantum mechanics in chemistry and physics departments. This brilliant new text, a completely original manifesto, covers quantum mechanics from a time-dependent perspective in a unified way from beginning to end. Intended for upper-level undergraduate and graduate courses in quantum mechanics, this text will change the way people think about and teach about quantum mechanics in chemistry and physics departments.

Laser Spectroscopy

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Author : Wolfgang Demtröder
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-07-23

Laser Spectroscopy written by Wolfgang Demtröder 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 2008-07-23 with Science categories.

Keeping abreast of the latest techniques and applications, this new edition of the standard reference and graduate text on laser spectroscopy has been completely revised and expanded. While the general concept is unchanged, the new edition features a broad array of new material. This new edition has been completely revised, especially the chapters on non linear spectroscopy, ion trapping, ultra short laser pulses and new developments. Fifty new figures illustrate the newest developments and results. The author is one of the most renowned experts in this area and no other book with this broad scope is available.

Theoretical Chemistry For Electronic Excited States

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Author : Michael A Robb
language : en
Publisher: Royal Society of Chemistry
Release Date : 2018-03-02

Theoretical Chemistry For Electronic Excited States written by Michael A Robb and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-03-02 with Science categories.

Over the past few decades, experimental excited state chemistry has moved into the femtochemistry era, where time resolution is short enough to resolve nuclear dynamics. Recently, the time resolution has moved into the attosecond domain, where electronic motion can be resolved as well. Theoretical chemistry is becoming an essential partner in such experimental investigations; not only for the interpretation of the results, but also to suggest new experiments. This book provides an integrated approach. The three main facets of excited-state theoretical chemistry; namely, mechanism, which focuses on the shape of the potential surface along the reaction path, multi-state electronic structure methods, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book will provide both with the knowledge and understanding to discover ways to work together more closely through its unified approach.

Fundamentals Of Chemistry Volume I

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Author : Sergio Carrà
language : en
Publisher: EOLSS Publications
Release Date : 2009-05-05

Fundamentals Of Chemistry Volume I written by Sergio Carrà and has been published by EOLSS Publications this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-05-05 with categories.

Fundamentals of Chemistry theme in two volumes, is a component of Encyclopedia of Chemical Sciences, Engineering and Technology Resources in the global Encyclopedia of Life Support Systems (EOLSS), which is an integrated compendium of twenty one Encyclopedias. The Theme is organized into six different topics which represent the main scientific areas : History and Fundamentals of Chemistry; Chemical Experimentation and Instrumentation; Theoretical Approach to Chemistry; Chemical Thermodynamics; Rates of Chemical Reactions; Chemical Synthesis of Substances. These two volumes are aimed at the following five major target audiences: University and College students Educators, Professional practitioners, Research personnel and Policy analysts, managers, and decision makers and NGOs

Theory And Applications Of Computational Chemistry

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Author : Clifford Dykstra
language : en
Publisher: Elsevier
Release Date : 2011-10-13

Theory And Applications Of Computational Chemistry written by Clifford Dykstra and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-10-13 with Science categories.

Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field

Atomic And Molecular Processes With Short Intense Laser Pulses

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Author : Andre D. Bandruk
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Atomic And Molecular Processes With Short Intense Laser Pulses written by Andre D. Bandruk 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 2012-12-06 with Science categories.

This volume contains the lectures and communications presented at the NATO Advanced Research Workshop on "Atomic and Molecular Processes with Short Intense Laser Pulses" (NATO ARW 848/86). The workshop was held at Bishop's University, Lennoxville, Que, Canada, July 19-24, 1987, under the directorship of Prof. A.D. Bandrauk, Universite de Sherbrooke. A scientific committee made up of Dr. P. Corkum (Laser Physics, ~ational Research Council of Canada), Dr. P. Hackett (Laser Chemistry, National Research Council of Canada), Prof. S.C. Wallace (Dept. of Chemistry and Physics, University of Toronto), and Prof. F.H.M. Faisal (FakultHt fUr Physik, UniversitHt Bellefeld) was called upon to invite and organize eminent lectures in the fields of i) Coherence Phenomena in Atomic and Molecular Photoprocesses. ii) High Intensity Atomic and Molecular Phenomena. iii) Laser Chemistry The aim of the workshop was to bring together chemists and physicists in order to~iscuss and analyze the progress made in the use of short in tense laser pulses in understanding coherence phenomena and high intensity, nonlin~adiative effects in atomic and molecular systems.

Extreme Photonics Applications

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Author : Trevor Hall
language : en
Publisher: Springer
Release Date : 2009-11-24

Extreme Photonics Applications written by Trevor Hall and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-11-24 with Science categories.

"Extreme Photonics & Applications" arises from the 2008 NATO Advanced Study Institute in Laser Control & Monitoring in New Materials, Biomedicine, Environment, Security and Defense. Leading experts in the manipulation of light offered by recent advances in laser physics and nanoscience were invited to give lectures in their fields of expertise and participate in discussions on current research, applications and new directions. The sum of their contributions to this book is a primer for the state of scientific knowledge and the issues within the subject of photonics taken to the extreme frontiers: molding light at the ultra-finest scales, which represents the beginning of the end to limitations in optical science for the benefit of 21st Century technological societies. Laser light is an exquisite tool for physical and chemical research. Physicists have recently developed pulsed lasers with such short durations that one laser shot takes the time of one molecular vibration or one electron rotation in an atom, which makes it possible to observe their internal electronic structure, thereby enabling the study of physical processes and new chemical reactions. In parallel, advances in micro- and nano-structured photonic materials allow the precise manipulation of light on its natural scale of a wavelength. Photonic crystals, plasmons and related metamaterials - composed of subwavelength nanostructures - permit the manipulation of their dispersive properties and have allowed the experimental confirmation of bizarre new effects such as slow light and negative refraction. These advances open a vista on a new era in which it is possible to build lasers and engineer materials to control and use photons as precisely as it is already possible to do with electrons. http://www.photonics.uottawa.ca/nato-asi-2008/