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: 472

ISBN-13: 0691163731

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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

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

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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.

Molecular Spectroscopy and Quantum Dynamics
Molecular Spectroscopy and Quantum Dynamics

Author: Roberto Marquardt

Publisher: Elsevier

Published: 2020-09-18

Total Pages: 376

ISBN-13: 0128172355

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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

Conical Intersections: Electronic Structure, Dynamics & Spectroscopy
Conical Intersections: Electronic Structure, Dynamics & Spectroscopy

Author: Wolfgang Domcke

Publisher: World Scientific

Published: 2004-07-14

Total Pages: 857

ISBN-13: 9814483753

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It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.Section I of the book provides a comprehensive analysis of the electronic-structure aspects of conical intersections. Section II shows the importance of conical intersections in chemical reaction dynamics and gives an overview of the computational techniques employed to describe the dynamics at conical intersections. Finally, Section III deals with the role of conical intersections in the fields of molecular spectroscopy and laser control of chemical reaction dynamics.This book has been selected for coverage in:• CC / Physical, Chemical & Earth Sciences• Chemistry Citation Index(tm)• Index to Scientific Book Contents® (ISBC)

Quantum Processes
Quantum Processes

Author: Wolfram Schommers

Publisher: World Scientific

Published: 2011

Total Pages: 420

ISBN-13: 9812796576

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Space and time are probably the most important elements in physics. Within the memory of man, all essential things are represented within the frame of space-time pictures. This is obviously the most basic information. What can we say about space and time? It is normally assumed that the space is a container filled with matter and that the time is just that which we measure with our clocks. However, there are some reasons to take another standpoint and to consider this container-conception as unrealistic, as prejudice so to say. Already the philosopher Immanuel Kant pointed on this serious problem. In this monograph, the author discusses the so-called projection theory. In contrast to the container-conception (reality is embedded in space and time), within projection theory the physical reality is projected onto space and time and quantum processes are of particular relevance. Like Whitehead and Bergson, the author argues for the primacy of process. One of the most interesting results is that projection theory automatically leads to a new aspect for the notion OC timeOCO. Here we have not only the time of conventional physics, which is exclusively treated as an external parameter, but we obtain within projection theory a system-specific time. Just this system-specific time might be of fundamental importance in the future description of physical systems. For example, the self-assembly of nano-systems could lead to predictions that are even not thinkable within usual physics. Also in connection with cosmology the projection principle must inevitably lead to fundamentally new statements."

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

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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.

Principles of Symmetry, Dynamics, and Spectroscopy
Principles of Symmetry, Dynamics, and Spectroscopy

Author: William G. Harter

Publisher: Wiley-VCH

Published: 1993-10-15

Total Pages: 880

ISBN-13:

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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.

PT Symmetry
PT Symmetry

Author: Carl M Bender

Publisher: World Scientific Publishing

Published: 2018-11-22

Total Pages: 468

ISBN-13: 1786345978

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Originated by the author in 1998, the field of PT (parity-time) symmetry has become an extremely active and exciting area of research. PT-symmetric quantum and classical systems have theoretical, experimental, and commercial applications, and have been the subject of many journal articles, PhD theses, conferences, and symposia. Carl Bender's work has influenced major advances in physics and generations of students. This book is an accessible entry point to PT symmetry, ideal for students and scientists looking to begin their own research projects in this field.

Vibrational Dynamics Of Molecules
Vibrational Dynamics Of Molecules

Author: Joel M Bowman

Publisher: World Scientific

Published: 2022-06-14

Total Pages: 603

ISBN-13: 9811237921

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Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.

Molecular Excitation Dynamics and Relaxation
Molecular Excitation Dynamics and Relaxation

Author: Leonas Valkunas

Publisher: John Wiley & Sons

Published: 2013-10-04

Total Pages: 414

ISBN-13: 3527653678

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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.