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Multidimensional Quantum Dynamics
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Book Synopsis Multidimensional Quantum Dynamics by : Hans-Dieter Meyer
Download or read book Multidimensional Quantum Dynamics written by Hans-Dieter Meyer and published by John Wiley & Sons. This book was released on 2009-05-26 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book dedicated to this new and powerful computational method begins with a comprehensive description of MCTDH and its theoretical background. There then follows a discussion of recent extensions of MCTDH, such as the treatment of identical particles, leading to the MCTDHF and MCTDHB methods for fermions and bosons. The third section presents a wide spectrum of very different applications to reflect the large diversity of problems that can be tackled by MCTDH. The result is handbook and ready reference for theoretical chemists, physicists, chemists, graduate students, lecturers and software producers.
Book Synopsis Quantum Dynamics with Trajectories by : Robert E. Wyatt
Download or read book Quantum Dynamics with Trajectories written by Robert E. Wyatt and published by Springer Science & Business Media. This book was released on 2006-05-28 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a rapidly developing field to which the author is a leading contributor New methods in quantum dynamics and computational techniques, with applications to interesting physical problems, are brought together in this book Useful to both students and researchers
Book Synopsis Multidimensional Quantum Mechanics with Trajectories by : Dimitrii V. Shalashilin
Download or read book Multidimensional Quantum Mechanics with Trajectories written by Dimitrii V. Shalashilin and published by . This book was released on 2009 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Modern Methods for Multidimensional Dynamics Computations in Chemistry by : Donald Leo Thompson
Download or read book Modern Methods for Multidimensional Dynamics Computations in Chemistry written by Donald Leo Thompson and published by World Scientific. This book was released on 1998 with total page 764 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field.The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other ?novices? who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field.
Book Synopsis Molecular Quantum Dynamics by : Fabien Gatti
Download or read book Molecular Quantum Dynamics written by Fabien Gatti and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Applications of Quantum Dynamics in Chemistry by : Fabien Gatti
Download or read book Applications of Quantum Dynamics in Chemistry written by Fabien Gatti and published by Springer. This book was released on 2017-09-05 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysics, or anyone else who is interested in this rising method in theoretical chemistry, and who wants to gain experience in the opportunities it can offer. It can also be useful for teachers interested in illustrative examples of time-dependent quantum mechanics as animations of realistic wave packets have been designed to assist in visualization. Assuming a basic knowledge about quantum mechanics, the authors link their explanations to recent experimental investigations where Molecular Quantum Dynamics proved successful and necessary for the understanding of the experimental results. Examples including reactive scattering, photochemistry, tunneling, femto- and attosecond chemistry and spectroscopy, cold chemistry or crossed-beam experiments illustrate the power of the method. The book restricts complicated formalism to the necessary and in a self-contained and clearly explained way, offering the reader an introduction to, and instructions for, practical exercises. Continuative explanation and math are optionally supplemented for the interested reader. The reader learns how to apply example simulations with the MCTDH program package (Multi Configuration Time Dependent Hartree calculations). Readers can thus obtain the tools to run their own simulations and apply them to their problems. Selected scripts and program code from the examples are made available as supplementary material. This book bridges the gap between the existing textbooks on fundamental theoretical chemistry and research monographs focusing on sophisticated applications. It is a must-read for everyone who wants to gain a sound understanding of Molecular Quantum Dynamics simulations and to obtain basic experience in running their own simulations.
Book Synopsis Solvable One-Dimensional Multi-State Models for Statistical and Quantum Mechanics by : Rajendran Saravanan
Download or read book Solvable One-Dimensional Multi-State Models for Statistical and Quantum Mechanics written by Rajendran Saravanan and published by Springer Nature. This book was released on 2021-11-14 with total page 186 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the need for studying multi-state models analytically for understanding the physics of molecular processes. An intuitive picture about recently solved models of statistical and quantum mechanics is drawn along with presenting the methods developed to solve them. The models are relevant in the context of molecular processes taking place in gaseous phases and condensed phases, emphasized in the introduction. Chapter 1 derives the arisal of multi-state models for molecular processes from the full Hamiltonian description. The model equations are introduced and the literature review presented in short. In Chapter 2, the time-domain methods to solve Smoluchowski-based reaction-diffusion systems with single-state and two-state descriptions are discussed. Their corresponding analytical results derive new equilibrium concepts in reversible reactions and studies the effect of system and molecular parameters in condensed-phase chemical dynamics. In Chapter 3, time-domain methods to solve quantum scattering problems are developed. Along side introducing a brand new solvable model in quantum scattering, it discusses transient features of quantum two-state models. In interest with electronic transitions, a new solvable two-state model with localized non-adiabatic coupling is also presented. The book concludes by proposing the future scope of the model, thereby inviting new research in this fundamentally important and rich applicable field.
Book Synopsis Electronic and nuclear quantum dynamics of molecules in intense laser fields by : Yuichi Fujimura
Download or read book Electronic and nuclear quantum dynamics of molecules in intense laser fields written by Yuichi Fujimura and published by Frontiers Media SA. This book was released on 2023-04-28 with total page 161 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Spectroscopy and Quantum Dynamics by : Roberto Marquardt
Download or read book Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Classical and Quantum Dynamics of Constrained Hamiltonian Systems by : Heinz J. Rothe
Download or read book Classical and Quantum Dynamics of Constrained Hamiltonian Systems written by Heinz J. Rothe and published by World Scientific. This book was released on 2010 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an introduction to the field of constrained Hamiltonian systems and their quantization, a topic which is of central interest to theoretical physicists who wish to obtain a deeper understanding of the quantization of gauge theories, such as describing the fundamental interactions in nature. Beginning with the early work of Dirac, the book covers the main developments in the field up to more recent topics, such as the field?antifield formalism of Batalin and Vilkovisky, including a short discussion of how gauge anomalies may be incorporated into this formalism. All topics are well illustrated with examples emphasizing points of central interest. The book should enable graduate students to follow the literature on this subject without much problems, and to perform research in this field.
Book Synopsis Research Advances in Quantum Dynamics by : Paul Bracken
Download or read book Research Advances in Quantum Dynamics written by Paul Bracken and published by BoD – Books on Demand. This book was released on 2016-08-24 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: There continue at present many developments in the area of quantum mechanics and quantum dynamics in particular, of a very fundamental nature, all the way from implications for the foundations of physics to the influence of quantum mechanics on emerging technologies, such as the areas of quantum semiconductors and quantum computing, both of which are very important examples. It is hoped that the papers in this volume will be able to provide a much needed resource for researchers with regard to current fields of research in this dynamic area.
Book Synopsis Quantum Dynamics of Complex Molecular Systems by : David A. Micha
Download or read book Quantum Dynamics of Complex Molecular Systems written by David A. Micha and published by Springer Science & Business Media. This book was released on 2006-11-22 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods
Book Synopsis Quantum Dissipative Systems by : Ulrich Weiss
Download or read book Quantum Dissipative Systems written by Ulrich Weiss and published by World Scientific. This book was released on 2012 with total page 587 pages. Available in PDF, EPUB and Kindle. Book excerpt: Starting from first principles, this book introduces the fundamental concepts and methods of dissipative quantum mechanics and explores related phenomena in condensed matter systems. Major experimental achievements in cooperation with theoretical advances have brightened the field and brought it to the attention of the general community in natural sciences. Nowadays, working knowledge of dissipative quantum mechanics is an essential tool for many physicists. This book -- originally published in 1990 and republished in 1999 and and 2008 as enlarged second and third editions -- delves significantly deeper than ever before into the fundamental concepts, methods and applications of quantum dissipative systems.This fourth edition provides a self-contained and updated account of the quantum mechanics of open systems and offers important new material including the most recent developments. The subject matter has been expanded by about fifteen percent. Many chapters have been completely rewritten to better cater to both the needs of newcomers to the field and the requests of the advanced readership. Two chapters have been added that account for recent progress in the field. This book should be accessible to all graduate students in physics. Researchers will find this a rich and stimulating source.
Book Synopsis Advances in Chemical Physics by : K. Birgitta Whaley
Download or read book Advances in Chemical Physics written by K. Birgitta Whaley and published by John Wiley & Sons. This book was released on 2018-03-26 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. • This is the only series of volumes available that presents the cutting edge of research in chemical physics • Includes 10 contributions from leading experts in this field of research • Contains a representative cross-section of research in chemical reaction dynamics and state of the art quantum description of intramolecular and intermolecular dynamics • Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry, chemical physics, or molecular physics
Book Synopsis Computational Strong-Field Quantum Dynamics by : Dieter Bauer
Download or read book Computational Strong-Field Quantum Dynamics written by Dieter Bauer and published by Walter de Gruyter GmbH & Co KG. This book was released on 2017-04-24 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate textbook introduces the com-putational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schrödinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach. Contents How to propagate a wavefunction? Calculation of typical strong-field observables Time-dependent relativistic wave equations: Numerics of the Dirac and the Klein-Gordon equation Time-dependent density functional theory The multiconfiguration time-dependent Hartree-Fock method Time-dependent configuration interaction singles Strong-field approximation and quantum orbits Microscopic particle-in-cell approach
Book Synopsis Quantum Chemistry and Dynamics of Excited States by : Leticia González
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2020-11-10 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Quantum Mechanics in Chemistry by : George C. Schatz
Download or read book Quantum Mechanics in Chemistry written by George C. Schatz and published by Courier Corporation. This book was released on 2012-04-30 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.
