Quantum Dynamics And Laser Control For Photochemistry

Author : Matthieu Sala
Publisher : Springer
Page : 189 pages
File Size : 47,8 Mb
Release : 2016-01-23
Category : Science
ISBN : 9783319289793

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Quantum Dynamics and Laser Control for Photochemistry by Matthieu Sala Pdf

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.

Author : Fabien Gatti,Benjamin Lasorne,Hans-Dieter Meyer,André Nauts
Publisher : Springer
Page : 437 pages
File Size : 47,7 Mb
Release : 2017-09-05
Category : Science
ISBN : 9783319539232

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Applications of Quantum Dynamics in Chemistry by Fabien Gatti,Benjamin Lasorne,Hans-Dieter Meyer,André Nauts Pdf

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.

Author : Fabien Gatti
Publisher : Springer Science & Business Media
Page : 281 pages
File Size : 40,9 Mb
Release : 2014-04-09
Category : Science
ISBN : 9783642452901

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Molecular Quantum Dynamics by Fabien Gatti Pdf

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.

Author : Hai-Lung Dai
Publisher : World Scientific
Page : 645 pages
File Size : 51,7 Mb
Release : 1995
Category : Science
ISBN : 9789812831897

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Laser Spectroscopy and Photochemistry on Metal Surfaces by Hai-Lung Dai Pdf

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.

Author : Roberto Marquardt,Martin Quack
Publisher : Elsevier
Page : 376 pages
File Size : 44,7 Mb
Release : 2020-09-18
Category : Science
ISBN : 9780128172353

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Molecular Spectroscopy and Quantum Dynamics by Roberto Marquardt,Martin Quack Pdf

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

Author : Yuichi Fujimura,Andre Bandrauk,Leticia González
Publisher : Frontiers Media SA
Page : 161 pages
File Size : 41,5 Mb
Release : 2023-04-28
Category : Science
ISBN : 9782832522110

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Electronic and nuclear quantum dynamics of molecules in intense laser fields by Yuichi Fujimura,Andre Bandrauk,Leticia González Pdf

Author : Lampros A A Nikolopoulos
Publisher : Morgan & Claypool Publishers
Page : 195 pages
File Size : 50,7 Mb
Release : 2019-03-29
Category : Science
ISBN : 9781681747125

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Elements of Photoionization Quantum Dynamics Methods by Lampros A A Nikolopoulos Pdf

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.

Author : Hai-Lung Dai
Publisher : World Scientific
Page : 819 pages
File Size : 53,7 Mb
Release : 1995
Category : Science
ISBN : 9789814317252

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Laser Spectroscopy and Photochemistry on Metal Surfaces by Hai-Lung Dai Pdf

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.

Author : Sergio Carrà
Publisher : EOLSS Publications
Page : 480 pages
File Size : 45,6 Mb
Release : 2009-05-05
Category : Electronic
ISBN : 9781905839582

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FUNDAMENTALS OF CHEMISTRY - Volume I by Sergio Carrà Pdf

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

Author : John H. Moore,Nicholas D. Spencer
Publisher : CRC Press
Page : 986 pages
File Size : 50,6 Mb
Release : 2023-07-03
Category : Science
ISBN : 9781003803287

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Encyclopedia of Chemical Physics and Physical Chemistry by John H. Moore,Nicholas D. Spencer Pdf

The Encyclopedia of Physical Chemistry and Chemical Physics introduces possibly unfamiliar areas, explains important experimental and computational techniques, and describes modern endeavors. The encyclopedia quickly provides the basics, defines the scope of each subdiscipline, and indicates where to go for a more complete and detailed explanation. Particular attention has been paid to symbols and abbreviations to make this a user-friendly encyclopedia. Care has been taken to ensure that the reading level is suitable for the trained chemist or physicist. The encyclopedia is divided in three major sections: FUNDAMENTALS: the mechanics of atoms and molecules and their interactions, the macroscopic and statistical description of systems at equilibrium, and the basic ways of treating reacting systems. The contributions in this section assume a somewhat less sophisticated audience than the two subsequent sections. At least a portion of each article inevitably covers material that might also be found in a modern, undergraduate physical chemistry text. METHODS: the instrumentation and fundamental theory employed in the major spectroscopic techniques, the experimental means for characterizing materials, the instrumentation and basic theory employed in the study of chemical kinetics, and the computational techniques used to predict the static and dynamic properties of materials. APPLICATIONS: specific topics of current interest and intensive research. For the practicing physicist or chemist, this encyclopedia is the place to start when confronted with a new problem or when the techniques of an unfamiliar area might be exploited. For a graduate student in chemistry or physics, the encyclopedia gives a synopsis of the basics and an overview of the range of activities in which physical principles are applied to chemical problems. It will lead any of these groups to the salient points of a new field as rapidly as possible and gives pointers as to where to read about the topic in more detail.

Author : Wolfgang Demtröder
Publisher : Springer Science & Business Media
Page : 797 pages
File Size : 55,7 Mb
Release : 2008-07-23
Category : Science
ISBN : 9783540749547

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Laser Spectroscopy by Wolfgang Demtröder Pdf

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.

Author : Rebeca de Nalda,Luis Bañares
Publisher : Springer Science & Business Media
Page : 298 pages
File Size : 52,7 Mb
Release : 2013-10-22
Category : Science
ISBN : 9783319020518

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Ultrafast Phenomena in Molecular Sciences by Rebeca de Nalda,Luis Bañares Pdf

This book presents the latest developments in Femtosecond Chemistry and Physics for the study of ultrafast photo-induced molecular processes. Molecular systems, from the simplest H2 molecule to polymers or biological macromolecules, constitute central objects of interest for Physics, Chemistry and Biology, and despite the broad range of phenomena that they exhibit, they share some common behaviors. One of the most significant of those is that many of the processes involving chemical transformation (nuclear reorganization, bond breaking, bond making) take place in an extraordinarily short time, in or around the femtosecond temporal scale (1 fs = 10-15 s). A number of experimental approaches - very particularly the developments in the generation and manipulation of ultrashort laser pulses - coupled with theoretical progress, provide the ultrafast scientist with powerful tools to understand matter and its interaction with light, at this spatial and temporal scale. This book is an attempt to reunite some of the state-of-the-art research that is being carried out in the field of ultrafast molecular science, from theoretical developments, through new phenomena induced by intense laser fields, to the latest techniques applied to the study of molecular dynamics.

Author : K. P. Lawley
Publisher : John Wiley & Sons
Page : 484 pages
File Size : 50,8 Mb
Release : 2009-09-08
Category : Science
ISBN : 9780470143292

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Photodissociation and Photoionisation by K. P. Lawley Pdf

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.

Author : Wolfgang Demtröder
Publisher : Springer
Page : 759 pages
File Size : 43,6 Mb
Release : 2015-01-07
Category : Science
ISBN : 9783662446416

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Laser Spectroscopy 2 by Wolfgang Demtröder Pdf

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, e.g., ultrafast lasers (atto- and femto-second lasers), coherent matter waves, Doppler-free Fourier spectroscopy, interference spectroscopy, quantum optics and gravitational waves and still more applications in chemical analysis, medical diagnostics, and engineering.

Author : Andre D. Bandruk
Publisher : Springer Science & Business Media
Page : 460 pages
File Size : 40,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461309673

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Atomic and Molecular Processes with Short Intense Laser Pulses by Andre D. Bandruk Pdf

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.