The Semiclassical Way To Dynamics And Spectroscopy
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The Semiclassical Way To Dynamics And Spectroscopy
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Author : Eric J. Heller
language : en
Publisher: Princeton University Press
Release Date : 2018-06-05
The Semiclassical Way To Dynamics And Spectroscopy written by Eric J. Heller and has been published by Princeton University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-05 with Science categories.
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 Spectroscopy And Quantum Dynamics
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Author : Roberto Marquardt
language : en
Publisher: Elsevier
Release Date : 2020-09-18
Molecular Spectroscopy And Quantum Dynamics written by Roberto Marquardt and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-18 with Science categories.
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
Classical Semiclassical And Quantum Dynamics In Atoms
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Author : Harald Friedrich
language : en
Publisher: Springer
Release Date : 1997-06-19
Classical Semiclassical And Quantum Dynamics In Atoms written by Harald Friedrich and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-06-19 with Computers categories.
Content Description #Includes bibliographical references and index.
Conical Intersections
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Author : Wolfgang Domcke
language : en
Publisher: World Scientific
Release Date : 2004
Conical Intersections written by Wolfgang Domcke and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with Science categories.
It is widely recognized nowadays that conical intersections ofmolecular potential-energy surfaces play a key mechanistic role in thespectroscopy of polyatomic molecules, photochemistry and chemicalkinetics. This invaluable book presents a systematic exposition of thecurrent state of knowledge about conical intersections, which has beenelaborated in research papers scattered throughout the chemicalphysics literature.
Quantum Chemistry And Dynamics Of Excited States
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Author : Leticia González
language : en
Publisher: John Wiley & Sons
Release Date : 2021-02-01
Quantum Chemistry And Dynamics Of Excited States written by Leticia González and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-01 with Science categories.
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.
Classical And Quantum Molecular Dynamics In Nmr Spectra
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Author : Sławomir Szymański
language : en
Publisher: Springer
Release Date : 2018-05-24
Classical And Quantum Molecular Dynamics In Nmr Spectra written by Sławomir Szymański and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-05-24 with Science categories.
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.
Getting Started On Time Resolved Molecular Spectroscopy
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Author : Jeffrey A. Cina
language : en
Publisher: Oxford University Press
Release Date : 2022
Getting Started On Time Resolved Molecular Spectroscopy written by Jeffrey A. Cina and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022 with Flash photolysis categories.
Aimed at graduate students in physics and physical chemistry, this textbook provides an accessible and comprehensive introduction to ultrafast spectroscopy. Each chapter is designed to be self-contained and includes in-text exercises to illustrate or expand upon the ideas covered in the main text.
Molecular Dynamics And Spectroscopy By Stimulated Emission Pumping
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Author : Hai-Lung Dai
language : en
Publisher: World Scientific
Release Date : 1995
Molecular Dynamics And Spectroscopy By Stimulated Emission Pumping written by Hai-Lung Dai and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
Since the first stimulated emission pumping (SEP) experiments more than a decade ago, this technique has proven powerful for studying vibrationally excited molecules. SEP is now widely used by increasing numbers of research groups to investigate fundamental problems in spectroscopy, intramolecular dynamics, intermolecular interactions, and even reactions. SEP provides rotationally pre-selected spectra of vibrationally highly excited molecules undergoing large amplitude motions. A unique feature of SEP is the ability to access systematically a wide variety of extreme excitations localized in various parts of a molecule, and to prepare populations in specific, high vibrational levels. SEP has made it possible to ask and answer specific questions about intramolecular vibrational redistribution and the role of vibrational excitation in chemical reactions.
Semiclassical Dynamics And Relaxation
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Author : D.S.F. Crothers
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-12-20
Semiclassical Dynamics And Relaxation written by D.S.F. Crothers and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-12-20 with Science categories.
Condensed-matter physics plays an ever increasing role in photonics, electronic and atomic collisions research. Dispersion (Dynamics and Relaxation) includes scattering/collisions in the gaseous phase. It also includes thermal agitation, tunneling and relaxation in the liquid and solid phases. Classical mechanics, classical statistical mechanics, classical relativity and quantum mechanics are all implicated. 'Semiclassical' essentially means that there is a large or asymptotic real parameter. 'Semiclassical' can also mean 'classical with first-order quantal correction', based on an exponentiated Liouville series commencing with a simple pole in the -plane, being Planck's reduced constant and coming with all the attendant connection problems associated with the singularity at the turning or transition point and with the Stokes phenomenon. Equally,' semiclassical' can mean 'electrons described quantally and the heavy particles classically'. This latter gives rise to the so-called impact parameter method based on a pre-assigned classical trajectory. With evermore sophisticated experiments, it has become equally more important to test theory over a wider range of parameters. For instance, at low impact energies in heavy-particle collisions, the inverse velocity is a large parameter; in single-domain ferromagnetism, thermal agitation (including Brownian motion and continuous-time random walks) is faced with a barrier of height 'sigma', a possibly large parameter. Methods of solution include phase-integral analysis, integral transforms and change-of-dependent variable. We shall consider the Schrödinger time-independent and time-dependent equations, the Dirac equation, the Fokker Planck equation, the Langevin equation and the equations of Einstein's classical general relativity equations. There is an increasing tendency among physicists to decry applied mathematics and theoretical physics in favour of computational blackboxes. One may say applied mathematics concerns hard sums and products (and their inverses) but unless one can simplify and sum infinite series of products of infinite series, can one believe the results of a computer program? The era of the polymath has passed; this book proposal aims to show the relevance to, and impact of theory on, laboratory scientists.
Semiclassical Methods In Molecular Scattering And Spectroscopy
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Author : M S Child
language : en
Publisher:
Release Date : 1980-02-29
Semiclassical Methods In Molecular Scattering And Spectroscopy written by M S Child and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1980-02-29 with categories.