Download or read book Symmetry of Intramolecular Quantum Dynamics written by Alexander V. Burenin and published by Walter de Gruyter. This book was released on 2012-12-06 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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. This approach does not introduce a configuration space of the molecular system in explicit form at all and, consequently, does not consider in explicit form the wave functions of the coordinates of this space. However, precisely because of its deep philosophical and technical difference this approach is the only possible for the solution of many topical problems of the internal dynamics of molecules. 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. The reader is not supposed to know the apparatus of group representation theory needed for application of symmetry methods in quantum intramolecular dynamics since the first part of the book is dedicated to it.

Download or read book Fundamentals of Molecular Symmetry written by P.R. Bunker and published by CRC Press. This book was released on 2018-10-03 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Winner of a 2005 CHOICE Outstanding Academic Book Award Molecular symmetry is an easily applied tool for understanding and predicting many of the properties of molecules. Traditionally, students are taught this subject using point groups derived from the equilibrium geometry of the molecule. Fundamentals of Molecular Symmetry shows how to set up symmetry groups for molecules using the more general idea of energy invariance. It is no more difficult than using molecular geometry and one obtains molecular symmetry groups. The book provides an introductory description of molecular spectroscopy and quantum mechanics as the foundation for understanding how molecular symmetry is defined and used. The approach taken gives a balanced account of using both point groups and molecular symmetry groups. Usually the point group is only useful for isolated, nonrotating molecules, executing small amplitude vibrations, with no tunneling, in isolated electronic states. However, for the chemical physicist or physical chemist who wishes to go beyond these limitations, the molecular symmetry group is almost always required.

Download or read book Intramolecular Dynamics written by Joshua Jortner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Fifteenth Jerusalem Symposium reflected the high standards of the former international scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was intramo lecular dynamics, a subject of central interest for theoreticians, che mists and biologists. During the last two decades, there has been remarkable pro gress in our understanding of time dependent phenomena. The development and application of the modern techniques of quantum mechanics and sta tistical mechanics to excited-state dynamics and to chemical and biophy sical systems constitutes a fast developing current research area. The main theme of the Symposium was built around a conceptual framework for the elucidation of photophysical and photochemical phenomena in atoms, molecules, van der Waals complexes and clusters, condensed phases, poly mers and biological supermolecules. The interdisciplinary nature of this research field was deliberated by intensive and extensive interactions between scientists from different disciplines and between theory and experiment. This volume provides a record of the invited lectures at the Symposium.

Download or read book Structure and Dynamics of Atoms and Molecules Conceptual Trends written by Jean-Louis Calais and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.

Download or read book Principles of Symmetry Dynamics and Spectroscopy written by William G. Harter and published by Wiley-VCH. This book was released on 1993-10-15 with total page 880 pages. Available in PDF, EPUB and Kindle. Book excerpt: Imparts a deeper understanding of symmetry principles applied to atomic and molecular dynamics and spectroscopy. Exposes the most powerful mathematical methods without sacrificing physical comprehension. Contains a thorough treatment of group representation theory and applications using projection algebra and subgroup chains. Features extensive graphics and visual aids for wave mechanics and operator algebra.

Download or read book Applications of Quantum Dynamics in Chemistry written by Fabien Gatti and published by Springer. This book was released on 2017-09-05 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Quantum Dynamics of Molecules written by R. G. Woolley and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Classical and Quantum Molecular Dynamics in NMR Spectra written by Sławomir Szymański and published by Springer. This book was released on 2018-05-24 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Molecular Symmetry and Spectroscopy written by Philip Bunker and published by Elsevier. This book was released on 2012-12-02 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Symmetry and Spectroscopy deals with the use of group theory in quantum mechanics in relation to problems in molecular spectroscopy. It discusses the use of the molecular symmetry group, whose elements consist of permutations of identical nuclei with or without inversion. After reviewing the permutation groups, inversion operation, point groups, and representation of groups, the book describes the use of representations for labeling molecular energy. The text explains an approximate time independent Schrödinger equation for a molecule, as well as the effect of a nuclear permutation or the inversion of E* on such equation. The book also examines the expression for the complete molecular Hamiltonian and the several groups of operations commuting with the Hamiltonian. The energy levels of the Hamiltonian can then be symmetrically labeled by the investigator using the irreducible representations of these groups. The text explains the two techniques to change coordinates in a Schrödinger equation, namely, (1) by using a diatomic molecule in the rovibronic Schrödinger equation, and (2) by a rigid nonlinear polyatomic molecule. The book also explains that using true symmetry, basis symmetry, near symmetry, and near quantum numbers, the investigator can label molecular energy levels. The text can benefit students of molecular spectroscopy, academicians, and investigators of molecular chemistry or quantum mechanics.

Download or read book Symmetry and Quantum Mechanics written by Scott Corry and published by CRC Press. This book was released on 2016-11-25 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structured as a dialogue between a mathematician and a physicist, Symmetry and Quantum Mechanics unites the mathematical topics of this field into a compelling and physically-motivated narrative that focuses on the central role of symmetry. Aimed at advanced undergraduate and beginning graduate students in mathematics with only a minimal background in physics, this title is also useful to physicists seeking a mathematical introduction to the subject. Part I focuses on spin, and covers such topics as Lie groups and algebras, while part II offers an account of position and momentum in the context of the representation theory of the Heisenberg group, along the way providing an informal discussion of fundamental concepts from analysis such as self-adjoint operators on Hilbert space and the Stone-von Neumann Theorem. Mathematical theory is applied to physical examples such as spin-precession in a magnetic field, the harmonic oscillator, the infinite spherical well, and the hydrogen atom.

Download or read book Reflections on Symmetry written by Edgar Heilbronner and published by John Wiley & Sons. This book was released on 1993 with total page 172 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Chemical Physics and Quantum Chemistry written by and published by Academic Press. This book was released on 2020-09-18 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Symmetries in Quantum Physics written by U. Fano and published by Elsevier. This book was released on 1996-06-17 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text focuses on the physics of symmetries, developing symmetries and transformations through concrete physical examples and contexts rather than presenting the information axiomatically, mathematically, and abstractly. Readers are introduced gradually to advanced mathematical procedures, including the Wigner and Racah algebras and their applications to various symmetry groups. The book also includes some of the latest research on the use of non-invariance and non-compact groups in the consideration of relativistic and many-particle problems of atoms and nuclei. This book is an updated replacement for the text Irreducible Tensorial Sets (Academic Press, 1959). Parts A and B of the present book grew out of occasional lectures in the intervening decades at the University of Chicago, where it became neccessary to update or elaborate upon certain points. Part C has been built more recently to deal with innovations and new information in the field of mathematical physics. The book as a whole develops the subject of symmetry from a physical point of view, allowing students and researchers to gain new insight on their subject. This book can be used both as a text and as a reference by students and scientists in the field. Adapts and extends the earlier Irreducible Tensor Sets (Academic Press, 1959) to classroom use Extends to multi-particle systems and relativity Includes problems in each chapter for homework assignments Embraces the latest research on non-invariance groups

Download or read book Symmetry in the Solid State written by Robert Seiple Knox and published by . This book was released on 1964 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pt. I. Elements of group theory. Tabular list of definitions -- pt. II. Symmetry in quantum mechanical systems. Examples of symmetry in quantum mechanical systems -- Matrix representation theory for finite groups -- Application to quantum mechanics -- Some results of the theory of continuous groups -- "Double" groups -- Permutation symmetry of many-particle wave functions -- The role of group theory in the coupling of states -- pt. III. Point symmetry and its consequences. Point groups -- Term splitting in crystal fields -- Additional methods in crystal field theory -- pt. IV. Translational symmetry of solids. Bravais lattices and Born-Von Karman boundary conditions -- Representations of cyclic groups -- Solid state "particles" -- Qualitative discussion of space groups -- pt. V. Special topics. Time reversal -- Jahn-Teller effect.

Download or read book Symmetries in Quantum Mechanics written by G Jordan Maclay and published by Mdpi AG. This book was released on 2022-01-07 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: Symmetry and quantum mechanics are two of the most fundamental probes we have of nature. This collection of eleven papers discusses new quantum phenomena in atoms, galaxies, and people (quantum cognition), which is a testimonial to the breadth of the influence of symmetry and quantum mechanics. The papers can be divided into four broad categories: 1. Fundamentals of quantum systems, including a new derivation of the uncertainty principle from optimal stochastic control theory, a new model of energy transfer between atoms with no wave function collapse, a new asymmetric optical micro-device with the remarkable property of showing a current with no applied voltage, a group theory method to compute radiative shifts, and a model of quantum cognition to predict the effect of irrelevant information on decision making, 2. Algebraic methods in quantum mechanics, applied for the elegant derivation of hydrogen atom Stark effect matrix elements and a group theoretical method for the computation of radiative shifts, 3. Teleportation and scattering, including a method to improve the information transfer in teleportation and the use of permutation symmetry to compute scattering cross sections, and 4. Cosmology, including scalar-tensor theory applied to inflation, the characterization of new Levi-Cevita spacetimes, and the analysis of gravitational dispersion forces. The book represents an international effort of researchers from educational and research institutions in nine countries, including India, Finland, France, Mexico, Norway, Russia, Spain, Turkey, and the United States.

Download or read book A Development of Quantum Mechanics written by G.H. Duffey and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of quantum mechanics continues to appear arbitrary and abstruse to new students; and to many veterans, it has become acceptable and useable only because it is familiar. Yet, this theory is at the basis of all modern physics, chem istry, and engineering, describing, as it does, the behavior of the submicroscopic particles making up all matter. So it needs to be presented more effectively to a diverse audience. The primary question is, I believe, 'What can be considered self-evident?' Indeed, what do certain key experiments reveal about the workings of nature? How can we consider that some probabilities are not a result of our ignorance, but instead, fundamental properties? We must pay particular attention to the subject of what we can do, what we cannot do, and what we can and cannot observe. We can prepare a homogeneous beam of almost independent particles by boiling electrons out of a metal and accelerating them by a given potential drop. We cannot follow an electron in dividually in the beam without introducing conditions that destroy the beam's homogeneity, but we can detennine when electrons arrive at a given position.