Molecular Spectroscopy and Quantum Dynamics

Molecular Spectroscopy and Quantum Dynamics
Author: Roberto Marquardt
Publisher: Elsevier
Total Pages: 376
Release: 2020-09-18
Genre: Science
ISBN: 0128172355

Download Molecular Spectroscopy and Quantum Dynamics Book in PDF, Epub and Kindle

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

Molecular Quantum Dynamics
Author: Fabien Gatti
Publisher: Springer Science & Business Media
Total Pages: 281
Release: 2014-04-09
Genre: Science
ISBN: 3642452906

Download Molecular Quantum Dynamics Book in PDF, Epub and Kindle

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.

Molecular Excitation Dynamics and Relaxation

Molecular Excitation Dynamics and Relaxation
Author: Leonas Valkunas
Publisher: John Wiley & Sons
Total Pages: 414
Release: 2013-10-04
Genre: Science
ISBN: 3527653678

Download Molecular Excitation Dynamics and Relaxation Book in PDF, Epub and Kindle

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.

Spectra and Dynamics of Small Molecules

Spectra and Dynamics of Small Molecules
Author: Robert W. Field
Publisher: Springer
Total Pages: 162
Release: 2015-04-14
Genre: Science
ISBN: 3319159585

Download Spectra and Dynamics of Small Molecules Book in PDF, Epub and Kindle

These seven lectures are intended to serve as an introduction for beginning graduate students to the spectra of small molecules. The author succeeds in illustrating the concepts by using language and metaphors that capture and elegantly convey simple insights into dynamics that lie beyond archival molecular constants. The lectures can simultaneously be viewed as a collection of interlocking special topics that have fascinated the author and his students over the years. Though neither a textbook nor a scholarly monograph, the book provides an illuminating perspective that will benefit students and researchers alike.

The Semiclassical Way to Dynamics and Spectroscopy

The Semiclassical Way to Dynamics and Spectroscopy
Author: Eric J. Heller
Publisher: Princeton University Press
Total Pages: 472
Release: 2018-06-05
Genre: Science
ISBN: 0691163731

Download The Semiclassical Way to Dynamics and Spectroscopy Book in PDF, Epub and Kindle

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

Getting Started on Time-Resolved Molecular Spectroscopy

Getting Started on Time-Resolved Molecular Spectroscopy
Author: Jeffrey A. Cina
Publisher: Oxford University Press
Total Pages: 148
Release: 2022-03-08
Genre: Science
ISBN: 0192677055

Download Getting Started on Time-Resolved Molecular Spectroscopy Book in PDF, Epub and Kindle

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.

Advances in the Theory of Atomic and Molecular Systems

Advances in the Theory of Atomic and Molecular Systems
Author: Piotr Piecuch
Publisher: Springer Science & Business Media
Total Pages: 288
Release: 2009-09-30
Genre: Science
ISBN: 9048129850

Download Advances in the Theory of Atomic and Molecular Systems Book in PDF, Epub and Kindle

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.

Molecular Spectroscopy

Molecular Spectroscopy
Author: Jeanne L. McHale
Publisher: CRC Press
Total Pages: 477
Release: 2017-07-06
Genre: Science
ISBN: 1466586591

Download Molecular Spectroscopy Book in PDF, Epub and Kindle

This textbook offers an introduction to the foundations of spectroscopic methods and provides a bridge between basic concepts and experimental applications in fields as diverse as materials science, biology, solar energy conversion, and environmental science. The author emphasizes the use of time-dependent theory to link the spectral response in the frequency domain to the behavior of molecules in the time domain, strengthened by two brand new chapters on nonlinear optical spectroscopy and time-resolved spectroscopy. Theoretical underpinnings are presented to the extent necessary for readers to understand how to apply spectroscopic tools to their own interests.

Symmetry of Intramolecular Quantum Dynamics

Symmetry of Intramolecular Quantum Dynamics
Author: Alexander V. Burenin
Publisher: Walter de Gruyter
Total Pages: 444
Release: 2012-12-06
Genre: Science
ISBN: 3110267640

Download Symmetry of Intramolecular Quantum Dynamics Book in PDF, Epub and Kindle

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.

Molecular Quantum Mechanics

Molecular Quantum Mechanics
Author: Peter W. Atkins
Publisher: Oxford University Press
Total Pages: 552
Release: 2011
Genre: Science
ISBN: 0199541426

Download Molecular Quantum Mechanics Book in PDF, Epub and Kindle

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.