Multidimensional Quantum Dynamics

Author : Hans-Dieter Meyer
Publisher : John Wiley & Sons
ISBN 13 : 3527627413
Total Pages : 442 pages
Book Rating : 4.17/5 ( download)

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Download or read book Multidimensional Quantum Dynamics written by Hans-Dieter Meyer and published by John Wiley & Sons. This book was released on 2009-04-22 with total page 442 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.

Author : Dimitrii V. Shalashilin
Publisher :
ISBN 13 :
Total Pages : 194 pages
Book Rating : 4.71/5 ( download)

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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:

Author :
Publisher :
ISBN 13 :
Total Pages : 6 pages
Book Rating : 4.62/5 ( download)

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Download or read book Multidimensional Quantum Dynamics and Infrared Spectroscopy of Hydrogen Bonds written by and published by . This book was released on 2006 with total page 6 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Henrik Larsson
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.40/5 ( download)

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Download or read book Efficient Approaches to Multidimensional Quantum Dynamics:Dynamical Pruning in Phase, Position and Configuration Space written by Henrik Larsson and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Robert E. Wyatt
Publisher : Springer Science & Business Media
ISBN 13 : 0387281452
Total Pages : 425 pages
Book Rating : 4.52/5 ( download)

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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

Author : Donald Leo Thompson
Publisher : World Scientific
ISBN 13 : 9789810233426
Total Pages : 764 pages
Book Rating : 4.26/5 ( download)

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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.

Author : Fabien Gatti
Publisher : Springer Science & Business Media
ISBN 13 : 3642452906
Total Pages : 281 pages
Book Rating : 4.01/5 ( download)

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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 281 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.

Author :
Publisher :
ISBN 13 :
Total Pages : 236 pages
Book Rating : 4.57/5 ( download)

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Download or read book Towards Multidimensional Quantum Reaction Dynamics written by and published by . This book was released on 2004 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Fabien Gatti
Publisher : Springer
ISBN 13 : 331953923X
Total Pages : 437 pages
Book Rating : 4.32/5 ( download)

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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.

Author : Dieter Bauer
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 311041726X
Total Pages : 290 pages
Book Rating : 4.65/5 ( download)

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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