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Molecular Spectroscopy And Quantum Dynamics

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Molecular Spectroscopy and Quantum Dynamics

Molecular Spectroscopy and Quantum Dynamics Book
Author : Roberto Marquardt,Martin Quack
Publisher : Elsevier
Release : 2020-09-18
ISBN : 0128172355
Language : En, Es, Fr & De

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Book Description :

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

Molecular Quantum Dynamics

Molecular Quantum Dynamics Book
Author : Fabien Gatti
Publisher : Springer Science & Business Media
Release : 2014-04-09
ISBN : 3642452906
Language : En, Es, Fr & De

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Book Description :

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.

Many Particle Quantum Dynamics in Atomic and Molecular Fragmentation

Many Particle Quantum Dynamics in Atomic and Molecular Fragmentation Book
Author : Joachim Ullrich,V.P. Shevelko
Publisher : Springer Science & Business Media
Release : 2013-06-29
ISBN : 3662084929
Language : En, Es, Fr & De

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Book Description :

This is the first comprehensive treatment of the interactions of atoms and molecules with charged particles, photons and laser fields. Addressing the subject from a unified viewpoint, the volume reflects our present understanding of many-particle dynamics in rearrangement and fragmentation reactions.

The Semiclassical Way to Dynamics and Spectroscopy

The Semiclassical Way to Dynamics and Spectroscopy Book
Author : Eric J. Heller
Publisher : Princeton University Press
Release : 2018-06-05
ISBN : 1400890292
Language : En, Es, Fr & De

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Book Description :

A graduate-level text that examines the semiclassical approach to quantum mechanics Physical systems have been traditionally described in terms of either classical or quantum mechanics. But in recent years, semiclassical methods have developed rapidly, providing deep physical insight and computational tools for quantum dynamics and spectroscopy. In this book, Eric Heller introduces and develops this subject, demonstrating its power with many examples. In the first half of the book, Heller covers relevant aspects of classical mechanics, building from them the semiclassical way through the semiclassical limit of the Feynman path integral. The second half of the book applies this approach to various kinds of spectroscopy, such as molecular spectroscopy and electron imaging and quantum dynamical systems with an emphasis on tunneling. Adopting a distinctly time-dependent viewpoint, Heller argues for semiclassical theories from experimental and theoretical vantage points valuable to research in physics and chemistry. Featuring more than two hundred figures, the book provides a geometric, phase-space, and coordinate-space pathway to greater understanding. Filled with practical examples and applications, The Semiclassical Way to Dynamics and Spectroscopy is a comprehensive presentation of the tools necessary to successfully delve into this unique area of quantum mechanics. A comprehensive approach for using classical mechanics to do quantum mechanics More than two hundred figures to assist intuition Emphasis on semiclassical Green function and wave packet perspective, as well as tunneling and spectroscopy Chapters include quantum mechanics of classically chaotic systems, quantum scarring, and other modern dynamical topics

Molecular Excitation Dynamics and Relaxation

Molecular Excitation Dynamics and Relaxation Book
Author : Leonas Valkunas,Darius Abramavicius,Tomás Mancal
Publisher : John Wiley & Sons
Release : 2013-10-04
ISBN : 3527653678
Language : En, Es, Fr & De

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Book Description :

This work brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to conduct research and understand the entire fi eld rather than just single aspects. Written by experienced authors and recognized authorities in the field, this text covers numerous applications and offers examples taken from different disciplines. As a result, spectroscopists, molecular physicists, physical chemists, and biophysicists will all fi nd this a must-have for their research. Also suitable as supplementary reading in graduate level courses.

Quantum Mechanics in Chemistry

Quantum Mechanics in Chemistry Book
Author : Melvin W. Hanna,Melvin W.. Hanna
Publisher : Addison Wesley Longman
Release : 1969
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Includes bibliographical references.

Quantum Dynamics of Molecules

Quantum Dynamics of Molecules Book
Author : R. G. Woolley
Publisher : Springer Science & Business Media
Release : 2013-06-29
ISBN : 1468437372
Language : En, Es, Fr & De

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Book Description :

The Advanced Study Institute on "Quantum Dynamics of Molecules: The New Experimental Challenge to Theorists," which was sponsored by the Scientific Affairs Division of NATO, was held at Trinity Hall, Ca~bridge, England from September 15th till September 29th, 1979. In all, a total of 79 lecturers and students attended the meeting: they had diverse backgrounds in chemistry, physics and mathematics. In my proposal to NATO requesting financial support for an Advanced Study Institute, I suggested that molecular physics was facing a qualitatively new experimental situation in which the exploration of previously inaccessible dynamical phenomena would become of increasing importance. At the same time I was aware that in recent years powerful theoretical techniques, that might prove crucial tools for the interpretation of the new experiments, have been developed in mathematics and theoretical physics. The aim of the ASI was to review at an advanced level these recent developments, juxtaposing new theory with new experimental pos sibilities in the hope that the participants in the-Institute would through their subsequent work increase the awareness of the whole molecular theory community of the changing nature of chemical physics. The recent developments in laser spectroscopy, particle scatter ing experiments and molecular beam technology imply that an entirely new class of phenomena involving molecules in gasses and liquids can now be investigated.

Spectra and Dynamics of Small Molecules

Spectra and Dynamics of Small Molecules Book
Author : Robert W. Field
Publisher : Springer
Release : 2015-04-14
ISBN : 3319159585
Language : En, Es, Fr & De

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Book Description :

These seven lectures are intended to serve as an introduction for beginning graduate students to the spectra of small molecules. The author succeeds in illustrating the concepts by using language and metaphors that capture and elegantly convey simple insights into dynamics that lie beyond archival molecular constants. The lectures can simultaneously be viewed as a collection of interlocking special topics that have fascinated the author and his students over the years. Though neither a textbook nor a scholarly monograph, the book provides an illuminating perspective that will benefit students and researchers alike.

Dynamics of Molecular Excitons

Dynamics of Molecular Excitons Book
Author : Seogjoo J. Jang
Publisher : Elsevier
Release : 2020-04-25
ISBN : 0081023367
Language : En, Es, Fr & De

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Book Description :

Dynamics of Molecular Excitons provides a comprehensive, but concise description of major theories on the dynamics of molecular excitons, intended to serve as a self-contained resource on the topic. Designed to help those new to this area gain proficiency in this field, experts will also find the book useful in developing a deeper understanding of the subject. The starting point of the book is the standard microscopic definition of molecular Hamiltonians presented in commonly accepted modern quantum mechanical notations. Major assumptions and approximations involved in constructing Frenkel-type exciton Hamiltonians, which are well established, but are often hidden under arcane notations and approximations of old publications, are presented in detail. This will help quantum chemists understand the major assumptions involved in the definition of commonly used exciton models. Rate theories of exciton dynamics, such as Förster and Dexter theories and their modern generalizations, are presented in a unified and detailed manner. In addition, important aspects that are often neglected, such as local field effect and the role of fluctuating environments, are discussed. Various quantum dynamics methods allowing coherent dynamics of excitons are presented in a systematic manner in the context of quantum master equations or path integral formalisms. The author also provides a detailed theoretical explanation for the major spectroscopic techniques probing exciton dynamics, including modern two-dimensional electronic spectroscopy, with a critical assessment of the implications of these spectroscopic measurements. Finally, the book includes a brief overview of major applications including an explanation of organic photovoltaic materials and natural light harvesting complexes. Covers major theories of exciton dynamics in a consciously concise and easily readable way Bridges the gap between quantum dynamics working with phenomenological exciton Hamiltonian and quantum chemistry construct reliable models amenable for dynamics calculations from ab initio calculations Explores modern nonlinear electronic spectroscopy techniques to probe exciton dynamics, showing how it is applied

The Spectra and Dynamics of Diatomic Molecules

The Spectra and Dynamics of Diatomic Molecules Book
Author : Helene Lefebvre-Brion,Robert W. Field
Publisher : Elsevier
Release : 2004-04-28
ISBN : 0080517501
Language : En, Es, Fr & De

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Book Description :

This book is written for graduate students just beginning research, for theorists curious about what experimentalists actually can and do measure, and for experimentalists bewildered by theory. It is a guide for potential users of spectroscopic data, and uses language and concepts that bridge the frequency-and time-domain spectroscopic communities. Key topics, concepts, and techniques include: the assignment of simple spectra, basic experimental techniques, definition of Born-Oppenheimer and angular momentum basis sets and the associated spectroscopic energy level patterns (Hund's cases), construction of effective Hamiltonian matrices to represent both spectra and dynamics, terms neglected in the Born-Oppenheimer approximation (situations intermediate between Hund's cases, spectroscopic perturbations), nonlinear least squares fitting, calculation and interpretation of coupling terms, semi-classical (WKB) approximation, transition intensities and interference effects, direct photofragmentation (dissociation and ionization) and indirect photofragmentation (predissociation and autoionization) processes, visualization of intramolecular dynamics, quantum beats and wavepackets, treatment of decaying quasi-eigenstates using a complex Heff model, and concluding with some examples of polyatomic molecule dynamics. Students will discover that there is a fascinating world of cause-and-effect localized dynamics concealed beyond the reduction of spectra to archival molecular constants and the exact ab initio computation of molecular properties. Professional spectroscopists, kinetics, ab initio theorists will appreciate the practical, simplified-model, and rigorous theoretical approaches discussed in this book. Key Features: • A fundamental reference for all spectra of small, gas-phase molecules. • It is the most up-to-date and comprehensive book on the electronic spectroscopy and dynamics of diatomic molecules. • The authors pioneered the development of many of the experimental methods, concepts, models, and computational schemes described in this book. A fundamental reference for all spectra of small, gas-phase molecules. It is the most up-to-date and comprehensive book on the electronic spectroscopy and dynamics of diatomic molecules. The authors pioneered the development of many of the experimental methods, concepts, models, and computational schemes described in this book.

Handbook of High resolution Spectroscopy

Handbook of High resolution Spectroscopy Book
Author : Martin Quack,Frederic Merkt
Publisher : John Wiley & Sons
Release : 2011-09-26
ISBN : 0470066539
Language : En, Es, Fr & De

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Book Description :

The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications

Advances in the Theory of Atomic and Molecular Systems

Advances in the Theory of Atomic and Molecular Systems Book
Author : Piotr Piecuch,Jean Maruani,Gerardo Delgado-Barrio,Stephen Wilson
Publisher : Springer Science & Business Media
Release : 2009-09-30
ISBN : 9048129850
Language : En, Es, Fr & De

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Book Description :

Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled “Dynamics, Spectroscopy, Clusters, and Nanostructures”) deals with the topics of “Quantum Dynamics and Spectroscopy”, “Complexes and Clusters”, and “Nanostructures and Complex Systems”. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.

Atomic and Molecular Spectroscopy

Atomic and Molecular Spectroscopy Book
Author : Rita Kakkar
Publisher : Cambridge University Press
Release : 2015-05-14
ISBN : 1107063884
Language : En, Es, Fr & De

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Book Description :

The book includes various spectroscopic techniques including atomic spectroscopy, pure rotational spectroscopy, vibrational spectroscopy of diatomic and polyatomic molecules, Raman spectroscopy and electronic spectroscopy. Solved and unsolved exercises are provided throughout the book for easy understanding and better assessment.

Molecular Quantum Electrodynamics

Molecular Quantum Electrodynamics Book
Author : D. P. Craig,T. Thirunamachandran
Publisher : Courier Corporation
Release : 2012-11-13
ISBN : 0486135632
Language : En, Es, Fr & De

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Book Description :

Self-contained, systematic introduction examines application of quantum electrodynamics to interpretation of optical experiments on atoms and molecules and explains the quantum theory of electromagnetic radiation and its interaction with matter.

Basic Molecular Quantum Mechanics

Basic Molecular Quantum Mechanics Book
Author : Steven A. Adelman
Publisher : CRC Press
Release : 2021-08-01
ISBN : 1498734006
Language : En, Es, Fr & De

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Book Description :

Quantum mechanics is a general theory of the motions, structures, properties, and behaviors of particles of atomic and subatomic dimensions. While quantum mechanics was created in the first third of the twentieth century by a handful of theoretical physicists working on a limited number of problems, it has further developed and is now applied by a great number of people working on a vast range of problems in wide areas of science and technology. Basic Molecular Quantum Mechanics introduces quantum mechanics by covering the fundamentals of quantum mechanics and some of its most important chemical applications: vibrational and rotational spectroscopy and electronic structure of atoms and molecules. Thoughtfully organized, the author builds up quantum mechanics systematically with each chapter preparing the student for the more advanced chapters and complex applications. Additional features include the following: This book presents rigorous and precise explanations of quantum mechanics and mathematical proofs. It contains qualitative discussions of key concepts with mathematics presented in the appendices. It provides problems and solutions at the end of each chapter to encourage understanding and application. This book is carefully written to emphasize its applications to chemistry and is a valuable resource for advanced undergraduates and beginning graduate students specializing in chemistry, in related fields such as chemical engineering and materials science, and in some areas of biology.

Frontiers of Molecular Spectroscopy

Frontiers of Molecular Spectroscopy Book
Author : Jaan Laane
Publisher : Elsevier
Release : 2011-08-11
ISBN : 9780080932378
Language : En, Es, Fr & De

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Book Description :

Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. * provides comprehensive coverage of present spectroscopic investigations * features 20 chapters written by leading researchers in the field * covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology

Chemical Physics and Quantum Chemistry

Chemical Physics and Quantum Chemistry Book
Author : Anonim
Publisher : Academic Press
Release : 2020-09-18
ISBN : 0128197587
Language : En, Es, Fr & De

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Book Description :

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry

Symmetry of Intramolecular Quantum Dynamics

Symmetry of Intramolecular Quantum Dynamics Book
Author : Alexander V. Burenin
Publisher : Walter de Gruyter
Release : 2013-01-01
ISBN : 3110267640
Language : En, Es, Fr & De

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Book Description :

The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry.

Time Dependent Quantum Molecular Dynamics

Time Dependent Quantum Molecular Dynamics Book
Author : J. Broeckhove,L. Lathouwers
Publisher : Springer Science & Business Media
Release : 2013-11-21
ISBN : 1489923268
Language : En, Es, Fr & De

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Book Description :

From March 30th to April 3rd, 1992, a NATO Advanced Research workshop entitled "Time Dependent Quantum Molecular Dynamics: Theory and Experiment" was held at Snowbird, Utah. The organizing committee consisted of J. BROECKHOVE (Antwerp, Belgium), L. CEDERBAUM (Heidelberg, Germany), L. LATHOUWERS (Antwerp, Belgium), N. OHRN (Gainesville, Florida) and J. SIMONS (Salt Lake City, Utah). Fifty-two participants from eleven different countries attended the meeting at which thirty-three talks and one poster session were held. Twenty-eight participants submitted contributions to the proceedings of the meeting, which are reproduced in this volume. The workshop brought together experts in different areas 0 f molecular quantum dynamics, all adhering to the time dependent approach. The aim was to discuss and compare methods and applications. The ~amiliarityo~ the aUdience with the concepts o~ time dependent approaches greatly facilitated topical discussions and probing towards new applications. A broad area of subject matter was covered including time resolved laser chemistry, intramolecular dynamics, photodissociation dynamics, reactive and inelastic collisions as well as new time dependent methodologies. This diversity in applications is reflected in the contributions included in this volume .