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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 : Unknown
Release : 2019-09
ISBN : 9780128172346
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 dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a conversation on the importance of these phenomena for the understanding of chemical reaction kinetics and the variation of molecular 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.

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.

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.

Molecular Spectroscopy and Quantum Dynamics

Molecular Spectroscopy and Quantum Dynamics Book
Author : Roberto Marquardt,Martin Quack
Publisher : Elsevier
Release : 2020-09-30
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 dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a conversation on the importance of these phenomena for the understanding of chemical reaction kinetics and the variation of molecular structure

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 : 0691163731
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 Quantum Mechanics

Molecular Quantum Mechanics Book
Author : Peter W. Atkins,Ronald S. Friedman
Publisher : Oxford University Press
Release : 2011
ISBN : 0199541426
Language : En, Es, Fr & De

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Book Description :

This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.

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
Release : 2009-10-12
ISBN : 9789048129843
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.

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.

Ultrafast Spectroscopy of Atomic and Molecular Quantum Dynamics

Ultrafast Spectroscopy of Atomic and Molecular Quantum Dynamics Book
Author : Pia Johansson
Publisher : Unknown
Release : 2006
ISBN : 9789171553140
Language : En, Es, Fr & De

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Book Description :

Download Ultrafast Spectroscopy of Atomic and Molecular Quantum Dynamics book written by Pia Johansson, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Molecular Spectroscopy

Molecular Spectroscopy Book
Author : Yukihiro Ozaki,Marek Januz Wójcik,Jürgen Popp
Publisher : John Wiley & Sons
Release : 2019-04-23
ISBN : 3527814620
Language : En, Es, Fr & De

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Book Description :

Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.

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
Release : 2009-10-12
ISBN : 9789048125951
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: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. 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.

Gas Phase Molecular Dynamics

Gas Phase Molecular Dynamics Book
Author : Anonim
Publisher : Unknown
Release : 2010
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

The goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods.

Atomic and Molecular Spectroscopy

Atomic and Molecular Spectroscopy Book
Author : Sune Svanberg
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 3642972586
Language : En, Es, Fr & De

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Book Description :

Atomic and molecular spectroscopy has provided basic information leading to the development of quantum mechanics and to the understanding of the building blocks of matter. It continues to provide further insight into the statics and dynamics of the microcosmos, and provides the ·means for test ing new concepts and computational methods. The results of atomic and molecular spectroscopy are of great importance in astrophysics, plasma and laser physics. The rapidly growing field of spectroscopic applications has made considerable impact on many disciplines, including medicine, envi ronmental protection, chemical processing and energy research. In particu lar, the techniques of electron and laser spectroscopy, the subjects of the 1981 Nobel prize in physics, have contributed much to the analytical poten tial of spectroscopy. This textbook on Atomic and Molecular Spectroscopy has been pre pared to provide an overview of modern spectroscopic methods. It is in tended to serve as a text for a course on the subject for final-year under graduate physics students or graduate students. It should also be useful for students of astrophysics and chemistry. The text has evolved from courses on atomic and molecular spectroscopy given by the author since 1975 at Chalmers University of Technology and at the Lund Institute of Technol ogy. References are given to important books and review articles which of different aspects of atomic and molecular allow more detailed studies spectroscopy. No attempt has been made to cover all important references, nor have priority aspects been systematically considered.

Perspectives in Quantum Chemistry

Perspectives in Quantum Chemistry Book
Author : Joshua Jortner,A. Pullman
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 9400909497
Language : En, Es, Fr & De

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Book Description :

The Sixth International Congress on Quantum Chemistry convened at the Campus of the Hebrew University. Jerusalem. Israel. on August 22-25. 1988. The International Congresses on Quantum Chemistry are held under the auspices of the International Academy of Quantum Molecular Science. Previous International Congresses on Quantum Chemistry were held in France. Japan, the United States, Sweden and Canada. These prestigious meetings provided a central contribution to the important modern area of theoretical chemistry. The major goals of the Sixth International Congress on Quantum Chemistry were: A) To provide an overview of recent novel developments. advances and directions of research in the broad area of quantum molecular sciences. B) To establish strong interaction between the theoretical discipline of quantum molecular sciences and experiment. The general topics of the Sixth International Congress were: a) Molecular Quantum Mechanics b) Many-Body Theory of Molecular Structure c) Intermolecular Forces d) Complexes and Clusters e) Molecular Spectroscopy f) Intramolecular Dynamics g) Chemical Reactions h) Molecular Dynamics Simulations i) Condensed-Phase Chemistry j) Surface Phenomena and Catalysis k) Quantum Biochemistry 1) Biophysics The format of the Sixth International Congress consisted of plenary lectures. symposia and poster sessions. In the opening session of the Congress. commemorative addresses were delivered in honoured memory of the late Louis de Broglie and the late Robert S. Mulliken. Nobel Prize Laureates and Members of the International Academy of Quantum Molecular Science. A com memorative symposium was devoted to the honoured memory of the late Massimo Simonetta.

Spectroscopy Quantum Dynamics and Parity Violation in Axially Chiral Molecules

Spectroscopy  Quantum Dynamics and Parity Violation in Axially Chiral Molecules Book
Author : Michael Gottselig
Publisher : Unknown
Release : 2004
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Spectroscopy Quantum Dynamics and Parity Violation in Axially Chiral Molecules book written by Michael Gottselig, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Applications of Quantum Dynamics in Chemistry

Applications of Quantum Dynamics in Chemistry Book
Author : Fabien Gatti,Benjamin Lasorne,Hans-Dieter Meyer,André Nauts
Publisher : Springer
Release : 2017-09-05
ISBN : 331953923X
Language : En, Es, Fr & De

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Book Description :

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.

Low Temperature Molecular Spectroscopy

Low Temperature Molecular Spectroscopy Book
Author : Rui Fausto
Publisher : Springer Science & Business Media
Release : 2013-11-11
ISBN : 9400902816
Language : En, Es, Fr & De

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Book Description :

Molecular spectroscopy has achieved rapid and significant progress in recent years, the low temperature techniques in particular having proved very useful for the study of reactive species, phase transitions, molecular clusters and crystals, superconductors and semiconductors, biochemical systems, astrophysical problems, etc. The widening range of applications has been accompanied by significant improvements in experimental methods, and low temperature molecular spectroscopy has been revealed as the best technique, in many cases, to establish the connection between experiment and theoretical calculations. This, in turn, has led to a rapidly increasing ability to predict molecular spectroscopic properties. The combination of an advanced tutorial standpoint with an emphasis on recent advances and new perspectives in both experimental and theoretical molecular spectroscopy contained in this book offers the reader insight into a wide range of techniques, particular emphasis being given to supersonic jet and matrix isolation techniques, spectroscopy in cryogenic solutions (including liquid noble gases), and in both crystalline and amorphous states. Suitable quantum chemical methods are also considered, as are empirically based force field methods for calculating spectra of large molecular systems. The wide range of topics covered includes: molecular dynamics and reactivity, time-resolved and high-resolution spectroscopy, conformational analysis, hydrogen bonding and solvent effects, structure and dynamics of weakly bound complexes, transition metal and organic photochemistry, spectroscopy of excited states, ab initio prediction of molecular spectra, and biochemical and astrophysical applications.

Quantum Chemistry and Molecular Spectroscopy

Quantum Chemistry and Molecular Spectroscopy Book
Author : Clifford E. Dykstra
Publisher : Unknown
Release : 1992
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Text for a junior or senior year course in physical chemistry, intended to provide a smooth and rigorous introduction. Annotation copyrighted by Book News, Inc., Portland, OR