Molecular Spectroscopy and Quantum Dynamics

Molecular Spectroscopy and Quantum Dynamics
Author: Roberto Marquardt,Martin Quack
Publsiher: Elsevier
Total Pages: 374
Release: 2020-09-30
ISBN 10: 0128172355
ISBN 13: 9780128172353
Language: EN, FR, DE, ES & NL

Molecular Spectroscopy and Quantum Dynamics Book Review:

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 Excitation Dynamics and Relaxation

Molecular Excitation Dynamics and Relaxation
Author: Leonas Valkunas,Darius Abramavicius,Tomás Mancal
Publsiher: John Wiley & Sons
Total Pages: 470
Release: 2013-10-04
ISBN 10: 3527653678
ISBN 13: 9783527653676
Language: EN, FR, DE, ES & NL

Molecular Excitation Dynamics and Relaxation Book Review:

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.

The Semiclassical Way to Dynamics and Spectroscopy

The Semiclassical Way to Dynamics and Spectroscopy
Author: Eric J. Heller
Publsiher: Princeton University Press
Total Pages: 480
Release: 2018-06-05
ISBN 10: 1400890292
ISBN 13: 9781400890293
Language: EN, FR, DE, ES & NL

The Semiclassical Way to Dynamics and Spectroscopy Book Review:

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 Dynamics

Molecular Quantum Dynamics
Author: Fabien Gatti
Publsiher: Springer Science & Business Media
Total Pages: 273
Release: 2014-04-09
ISBN 10: 3642452906
ISBN 13: 9783642452901
Language: EN, FR, DE, ES & NL

Molecular Quantum Dynamics Book Review:

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.

Molecular Spectroscopy 2 Volume Set

Molecular Spectroscopy  2 Volume Set
Author: Yukihiro Ozaki,Marek Januz Wójcik,Jürgen Popp
Publsiher: John Wiley & Sons
Total Pages: 640
Release: 2019-09-03
ISBN 10: 3527344616
ISBN 13: 9783527344611
Language: EN, FR, DE, ES & NL

Molecular Spectroscopy 2 Volume Set Book Review:

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.

The Basics of Spectroscopy

The Basics of Spectroscopy
Author: David Warren Ball
Publsiher: SPIE Press
Total Pages: 122
Release: 2001
ISBN 10: 9780819441041
ISBN 13: 081944104X
Language: EN, FR, DE, ES & NL

The Basics of Spectroscopy Book Review:

Spectroscopy--the study of matter using electromagnetic radiation--and its applications as a scientific tool are the focus of this tutorial. Topics covered include the interaction of light with matter, spectrometer fundamentals, quantum mechanics, selection rules, and experimental factors.

Atomic and Molecular Spectroscopy

Atomic and Molecular Spectroscopy
Author: Sune Svanberg
Publsiher: Springer Science & Business Media
Total Pages: 407
Release: 2012-12-06
ISBN 10: 3642973981
ISBN 13: 9783642973987
Language: EN, FR, DE, ES & NL

Atomic and Molecular Spectroscopy Book Review:

A wide-ranging review of modern techniques in atomic and molecular spectroscopy. A brief description of atomic and molecular structure is followed by the relevant energy structure expressions. A discussion of radiative properties and the origin of spectra leads into coverage of X-ray and photoelectron spectroscopy, optical spectroscopy, and radiofrequency and microwave techniques. The treatment of laser spectroscopy investigates various tunable sources and a wide range of techniques characterized by high sensitivity and high resolution. Throughout this book, the relation between fundamental and applied aspects is shown, in particular by descriptions of applications to chemical analysis, photochemistry, surface characterisation, environmental and medical diagnostics, remote sensing and astrophysics.

The Theory of Molecular Spectroscopy The quantum mechanics and group theory of vibrating and rotating molecules

The Theory of Molecular Spectroscopy  The quantum mechanics and group theory of vibrating and rotating molecules
Author: Casper Jan Hendrik Schutte
Publsiher: Unknown
Total Pages: 512
Release: 1976
ISBN 10: 9780444106278
ISBN 13: 0444106278
Language: EN, FR, DE, ES & NL

The Theory of Molecular Spectroscopy The quantum mechanics and group theory of vibrating and rotating molecules Book Review:

Volume 1.

Classical and Quantum Molecular Dynamics in NMR Spectra

Classical and Quantum Molecular Dynamics in NMR Spectra
Author: Sławomir Szymański,Piotr Bernatowicz
Publsiher: Springer
Total Pages: 402
Release: 2018-05-24
ISBN 10: 3319907816
ISBN 13: 9783319907819
Language: EN, FR, DE, ES & NL

Classical and Quantum Molecular Dynamics in NMR Spectra Book Review:

The book provides a detailed account of how condensed-phase molecular dynamics are reflected in the line shapes of NMR spectra. The theories establishing connections between random, time-dependent molecular processes and lineshape effects are exposed in depth. Special emphasis is placed on the theoretical aspects, involving in particular intermolecular processes in solution, and molecular symmetry issues. The Liouville super-operator formalism is briefly introduced and used wherever it is beneficial for the transparency of presentation. The proposed formal descriptions of the discussed problems are sufficiently detailed to be implemented on a computer. Practical applications of the theory in solid- and liquid-phase studies are illustrated with appropriate experimental examples, exposing the potential of the lineshape method in elucidating molecular dynamics NMR-observable molecular phenomena where quantization of the spatial nuclear degrees of freedom is crucial are addressed in the last part of the book. As an introduction to this exciting research field, selected aspects of the quantum mechanics of isolated systems undergoing rotational tunnelling are reviewed, together with some basic information about quantum systems interacting with their condensed environment. The quantum theory of rate processes evidenced in the NMR lineshapes of molecular rotors is presented, and illustrated with appropriate experimental examples from both solid- and liquid-phase spectra. In this context, the everlasting problem of the quantum-to-classical transition is discussed at a quantitative level. The book will be suitable for graduate students and new and practising researchers using NMR techniques.

Time Dependent Quantum Molecular Dynamics

Time Dependent Quantum Molecular Dynamics
Author: J. Broeckhove,L. Lathouwers
Publsiher: Springer Science & Business Media
Total Pages: 428
Release: 2013-11-21
ISBN 10: 1489923268
ISBN 13: 9781489923264
Language: EN, FR, DE, ES & NL

Time Dependent Quantum Molecular Dynamics Book Review:

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 .

Spectroscopy and Dynamics of Single Molecules

Spectroscopy and Dynamics of Single Molecules
Author: Anonim
Publsiher: Elsevier
Total Pages: 402
Release: 2019-08-14
ISBN 10: 0128164646
ISBN 13: 9780128164648
Language: EN, FR, DE, ES & NL

Spectroscopy and Dynamics of Single Molecules Book Review:

Spectroscopy and Dynamics of Single Molecules: Methods and Applications reviews the most recent developments in spectroscopic methods and applications. Spectroscopic techniques are the chief experimental methods for testing theoretical models and research in this area plays an important role in stimulating new theoretical developments in physical chemistry. This book provides an authoritative insight into the latest advances in the field, highlighting new techniques, current applications, and potential future developments An ideal reference for chemists and physicists alike, Spectroscopy and Dynamics of Single Molecules: Methods and Applications is a useful guide for all those working in the research, design, or application of spectroscopic tools and techniques across a wide range of fields. Includes the latest research on ultrafast vibrational and electronic dynamics, nonlinear spectroscopies, and single-molecule methods Makes the content accessible to researchers in chemistry, biophysics, and chemical physics through a rigorous multi-disciplinary approach Provides content edited by a world-renowned chemist with more than 30 years of experience in research and instruction

Fundamentals of Quantum Chemistry

Fundamentals of Quantum Chemistry
Author: Michael P. Mueller
Publsiher: Springer Science & Business Media
Total Pages: 265
Release: 2007-05-08
ISBN 10: 0306475669
ISBN 13: 9780306475665
Language: EN, FR, DE, ES & NL

Fundamentals of Quantum Chemistry Book Review:

As quantum theory enters its second century, it is fitting to examine just how far it has come as a tool for the chemist. Beginning with Max Planck’s agonizing conclusion in 1900 that linked energy emission in discreet bundles to the resultant black-body radiation curve, a body of knowledge has developed with profound consequences in our ability to understand nature. In the early years, quantum theory was the providence of physicists and certain breeds of physical chemists. While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began the foray into the study of larger, molecular systems. Quantum theory predictions of these systems were first verified through experimental spectroscopic studies in the electromagnetic spectrum (microwave, infrared and ultraviolet/visible), and, later, by nuclear magnetic resonance (NMR) spectroscopy. Over two generations these studies were hampered by two major drawbacks: lack of resolution of spectroscopic data, and the complexity of calculations. This powerful theory that promised understanding of the fundamental nature of molecules faced formidable challenges. The following example may put things in perspective for today’s chemistry faculty, college seniors or graduate students: As little as 40 years ago, force field calculations on a molecule as simple as ketene was a four to five year dissertation project.

Quantum Mechanics of Molecular Structures

Quantum Mechanics of Molecular Structures
Author: Kaoru Yamanouchi
Publsiher: Springer
Total Pages: 267
Release: 2013-02-02
ISBN 10: 9783642323805
ISBN 13: 3642323804
Language: EN, FR, DE, ES & NL

Quantum Mechanics of Molecular Structures Book Review:

At a level accessible to advanced undergraduates, this textbook explains the fundamental role of quantum mechanics in determining the structure, dynamics, and other properties of molecules. Readers will come to understand the quantum-mechanical basis for harmonic oscillators, angular momenta and scattering processes. Exercises are provided to help readers deepen their grasp of the essential phenomena.

Molecular Spectroscopy

Molecular Spectroscopy
Author: Jeanne L. McHale
Publsiher: CRC Press
Total Pages: 457
Release: 2017-07-06
ISBN 10: 1466586613
ISBN 13: 9781466586611
Language: EN, FR, DE, ES & NL

Molecular Spectroscopy Book Review:

This textbook offers an introduction to the foundations of spectroscopic methods and provides a bridge between basic concepts and experimental applications in fields as diverse as materials science, biology, solar energy conversion, and environmental science. The author emphasizes the use of time-dependent theory to link the spectral response in the frequency domain to the behavior of molecules in the time domain, strengthened by two brand new chapters on nonlinear optical spectroscopy and time-resolved spectroscopy. Theoretical underpinnings are presented to the extent necessary for readers to understand how to apply spectroscopic tools to their own interests.

Atomic and Molecular Spectroscopy

Atomic and Molecular Spectroscopy
Author: Sune Svanberg
Publsiher: Springer Science & Business Media
Total Pages: 405
Release: 2012-12-06
ISBN 10: 3642972586
ISBN 13: 9783642972584
Language: EN, FR, DE, ES & NL

Atomic and Molecular Spectroscopy Book Review:

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.

Quantum Dynamics

Quantum Dynamics
Author: Eric R. Bittner
Publsiher: CRC Press
Total Pages: 334
Release: 2009-07-21
ISBN 10: 1439882142
ISBN 13: 9781439882146
Language: EN, FR, DE, ES & NL

Quantum Dynamics Book Review:

Even though time-dependent spectroscopic techniques continue to push the frontier of chemical physics, they receive scant mention in introductory courses and are poorly covered in standard texts. Quantum Dynamics: Applications in Biological and Materials Systems bridges the gap between what is traditionally taught in a one-semester quantum chemistr

The Spectra and Dynamics of Diatomic Molecules

The Spectra and Dynamics of Diatomic Molecules
Author: Helene Lefebvre-Brion,Robert W. Field
Publsiher: Elsevier
Total Pages: 786
Release: 2004-04-28
ISBN 10: 0080517501
ISBN 13: 9780080517506
Language: EN, FR, DE, ES & NL

The Spectra and Dynamics of Diatomic Molecules Book Review:

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.

Molecular Quantum Electrodynamics

Molecular Quantum Electrodynamics
Author: D. P. Craig,T. Thirunamachandran
Publsiher: Courier Corporation
Total Pages: 336
Release: 2012-11-13
ISBN 10: 0486135632
ISBN 13: 9780486135632
Language: EN, FR, DE, ES & NL

Molecular Quantum Electrodynamics Book Review:

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.

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
Author: Lucjan Piela
Publsiher: Elsevier
Total Pages: 1120
Release: 2006-11-28
ISBN 10: 9780080466767
ISBN 13: 0080466761
Language: EN, FR, DE, ES & NL

Ideas of Quantum Chemistry Book Review:

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet. * Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics

Quantum Dynamics of Complex Molecular Systems

Quantum Dynamics of Complex Molecular Systems
Author: David A. Micha,Irene Burghardt
Publsiher: Springer
Total Pages: 429
Release: 2014-11-28
ISBN 10: 9783642436178
ISBN 13: 364243617X
Language: EN, FR, DE, ES & NL

Quantum Dynamics of Complex Molecular Systems Book Review:

Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods