Molecular Spectroscopy And Quantum Dynamics
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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
Molecular Quantum Dynamics
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Author : Fabien Gatti
language : en
Publisher: Springer Science & Business Media
Release Date : 2014-04-09
Molecular Quantum Dynamics written by Fabien Gatti 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 2014-04-09 with Science categories.
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.
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
Advances In The Theory Of Atomic And Molecular Systems
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Author : Piotr Piecuch
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-09-30
Advances In The Theory Of Atomic And Molecular Systems written by Piotr Piecuch 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 2009-09-30 with Science categories.
Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled “Dynamics, Spectroscopy, Clusters, and Nanostructures”) deals with the topics of “Quantum Dynamics and Spectroscopy”, “Complexes and Clusters”, and “Nanostructures and Complex Systems”. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.
Getting Started On Time Resolved Molecular Spectroscopy
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Author : Jeffrey A. Cina
language : en
Publisher: Oxford University Press
Release Date : 2022-03-08
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 2022-03-08 with Science categories.
This textbook provides an overview of the basics of ultrafast molecular spectroscopy starting from time-dependent quantum mechanical perturbation theory in Hilbert space. It emphasizes the dynamics of nuclear and electronic motion, initiated and monitored by femtosecond laser pulses, which underlie the generation of nonlinear optical signals and inform their interpretation. Topics include short-pulse electronic absorption, the molecular adiabatic approximation, transient-absorption spectroscopy, vibrational adiabaticity during conformational change, femtosecond stimulated Raman spectroscopy, multi-dimensional electronic spectroscopy and wave-packet interferometry, and two-dimensional wave-packet interferometry of electronic excitation-transfer systems. The treatment is based on time-dependent quantum mechanics as it is presented in graduate-level quantum mechanics courses. It is designed to be accessible to beginning practitioners of ultrafast spectroscopy and is meant to serve as a bridge to more advanced treatises and research publications. Numerous exercises are embedded in the text to explore and expand upon the physical ideas encountered in this important research field.
Symmetry Of Intramolecular Quantum Dynamics
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Author : Alexander V. Burenin
language : en
Publisher: Walter de Gruyter
Release Date : 2012-12-06
Symmetry Of Intramolecular Quantum Dynamics written by Alexander V. Burenin and has been published by Walter de Gruyter this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
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.
The Theory Of Molecular Spectroscopy
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Author : C.J.H. Schutte
language : en
Publisher:
Release Date : 1976
The Theory Of Molecular Spectroscopy written by C.J.H. Schutte and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Molecular spectroscopy categories.
The Theory Of Molecular Spectroscopy The Quantum Mechanics And Group Theory Of Vibrating And Rotating Molecules
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Author : Casper Jan Hendrik Schutte
language : en
Publisher:
Release Date : 1976
The Theory Of Molecular Spectroscopy The Quantum Mechanics And Group Theory Of Vibrating And Rotating Molecules written by Casper Jan Hendrik Schutte and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Group theory categories.
Volume 1.
Molecular Excitation Dynamics And Relaxation
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Author : Leonas Valkunas
language : en
Publisher: John Wiley & Sons
Release Date : 2013-10-04
Molecular Excitation Dynamics And Relaxation written by Leonas Valkunas 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 2013-10-04 with Science categories.
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.
Fundamentals Of Quantum Chemistry
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Author : Michael P. Mueller
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-05-08
Fundamentals Of Quantum Chemistry written by Michael P. Mueller 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 2007-05-08 with Science categories.
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.