Semiclassical Mechanics with Molecular Applications
Semiclassical Mechanics with Molecular Applications

Author: M. S. Child

Publisher: OUP Oxford

Published: 2014-08-21

Total Pages: 445

ISBN-13: 0191653845

DOWNLOAD EBOOK

The second edition of an established graduate text, this book complements the material for a typical advanced graduate course in quantum mechanics by showing how the underlying classical structure is reflected in quantum mechanical interference and tunnelling phenomena, and in the energy and angular momentum distributions of quantum mechanical states in the moderate to large (10-100) quantum number regime. Applications include accurate quantization techniques for a variety of tunnelling and curve-crossing problems and of non-separable bound systems; direct inversion of molecular scattering and spectroscopic data; wavepacket propagation techniques; and the prediction and interpretation of elastic, inelastic and chemically reactive scattering. The main text concentrates less on the mathematical foundations than on the global influence of the classical phase space structures on the quantum mechanical observables. Further mathematical detail is contained in the appendices and worked problem sets are included as an aid to the student.

Semiclassical Mechanics with Molecular Applications
Semiclassical Mechanics with Molecular Applications

Author: M. S. Child

Publisher: OUP Oxford

Published: 2014-08-21

Total Pages: 495

ISBN-13: 0191653853

DOWNLOAD EBOOK

The second edition of an established graduate text, this book complements the material for a typical advanced graduate course in quantum mechanics by showing how the underlying classical structure is reflected in quantum mechanical interference and tunnelling phenomena, and in the energy and angular momentum distributions of quantum mechanical states in the moderate to large (10-100) quantum number regime. Applications include accurate quantization techniques for a variety of tunnelling and curve-crossing problems and of non-separable bound systems; direct inversion of molecular scattering and spectroscopic data; wavepacket propagation techniques; and the prediction and interpretation of elastic, inelastic and chemically reactive scattering. The main text concentrates less on the mathematical foundations than on the global influence of the classical phase space structures on the quantum mechanical observables. Further mathematical detail is contained in the appendices and worked problem sets are included as an aid to the student.

The Semiclassical Way to Dynamics and Spectroscopy
The Semiclassical Way to Dynamics and Spectroscopy

Author: Eric J. Heller

Publisher: Princeton University Press

Published: 2018-06-05

Total Pages: 473

ISBN-13: 1400890292

DOWNLOAD EBOOK

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

Semiclassical Mechanics with Molecular Applications
Semiclassical Mechanics with Molecular Applications

Author: Mark Sheard Child

Publisher:

Published: 2023

Total Pages: 0

ISBN-13: 9781383028669

DOWNLOAD EBOOK

Relates Newton's classical theory to modern quantum mechanics in a manner designed for the interpretation of experiments. This book gives a comprehensive account of the application of the theory to molecular systems, with particular attention paid to the problems of non-separability.

Quantum Chemistry and Dynamics of Excited States
Quantum Chemistry and Dynamics of Excited States

Author: Leticia González

Publisher: John Wiley & Sons

Published: 2021-02-01

Total Pages: 52

ISBN-13: 1119417759

DOWNLOAD EBOOK

An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.

Semiclassical Physics
Semiclassical Physics

Author: Matthias Brack

Publisher: CRC Press

Published: 2018-03-05

Total Pages: 442

ISBN-13: 0429982453

DOWNLOAD EBOOK

This book attempts to convey to the reader that semiclassical physics can be fun, as well as useful for understanding quantum fluctuations in interacting many-body systems. It presents applications to finite fermion systems in diverse areas of physics.

Molecular Quantum Mechanics
Molecular Quantum Mechanics

Author: Peter W. Atkins

Publisher: Oxford University Press

Published: 2011

Total Pages: 552

ISBN-13: 0199541426

DOWNLOAD EBOOK

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.

The Quantum Classical Theory
The Quantum Classical Theory

Author: Gert D. Billing

Publisher: Oxford University Press

Published: 2003-01-23

Total Pages: 252

ISBN-13: 9780198033424

DOWNLOAD EBOOK

Over a period of fifty years, the quantum-classical or semi-classical theories have been among the most popular for calculations of rates and cross sections for many dynamical processes: energy transfer, chemical reactions, photodissociation, surface dynamics, reactions in clusters and solutions, etc. These processes are important in the simulation of kinetics of processes in plasma chemistry, chemical reactors, chemical or gas lasers, atmospheric and interstellar chemistry, as well as various industrial processes. This book gives an overview of quantum-classical methods that are currently used for a theoretical description of these molecular processes. It gives the theoretical background for the derivation of the theories from first principles. Enough details are provided to allow numerical implementation of the methods. The book gives the necessary background for understanding the approximations behind the methods and the working schemes for treating energy transfer processes from diatomic to polyatomic molecules, reactions at surfaces, non-adiabatic processes, and chemical reactions.

Principles and Applications of Quantum Chemistry
Principles and Applications of Quantum Chemistry

Author: V.P. Gupta

Publisher: Academic Press

Published: 2015-10-15

Total Pages: 480

ISBN-13: 0128035013

DOWNLOAD EBOOK

Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools