Quantum Theory Of Anharmonic Effects In Molecules
DOWNLOAD
Download Quantum Theory Of Anharmonic Effects In Molecules PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Quantum Theory Of Anharmonic Effects In Molecules book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Quantum Theory Of Anharmonic Effects In Molecules
DOWNLOAD
Author : Konstantin V. Kazakov
language : en
Publisher: Elsevier
Release Date : 2012-07-09
Quantum Theory Of Anharmonic Effects In Molecules written by Konstantin V. Kazakov and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-07-09 with Science categories.
Presented in a clear and straightforward analysis, this book explores quantum mechanics and the application of quantum mechanics to interpret spectral phenomena. Specifically, the book discusses the relation between spectral features in mid or rear infrared regions, or in Raman scattering spectrum, and interactions between molecules or molecular species such as molecular ions, and their respective motions in gaseous or crystalline conditions. Beginning with an overview of conventional methods and problems which arise in molecular spectroscopy, the second half of the book suggests original techniques to investigate the area. The treatment is based on rigorous quantum-mechanical theories and procedures that are readily implemented in either manual methods or with symbolic computational software. Offers a novel approach in its application to physical phenomena Concise and clear discussions of quantum-mechanical theories and spectrum analysis Provides both theories and applications
Quantum Theory Of Anharmonic Effects In Molecules
DOWNLOAD
Author : Konstantin V. Kazakov
language : en
Publisher: Elsevier
Release Date : 2012-10-22
Quantum Theory Of Anharmonic Effects In Molecules written by Konstantin V. Kazakov and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-10-22 with Science categories.
Presented in a clear and straightforward analysis, this book explores quantum mechanics and the application of quantum mechanics to interpret spectral phenomena. Specifically, the book discusses the relation between spectral features in mid or rear infrared regions, or in Raman scattering spectrum, and interactions between molecules or molecular species such as molecular ions, and their respective motions in gaseous or crystalline conditions. Beginning with an overview of conventional methods and problems which arise in molecular spectroscopy, the second half of the book suggests original techniques to investigate the area. The treatment is based on rigorous quantum-mechanical theories and procedures that are readily implemented in either manual methods or with symbolic computational software. - Offers a novel approach in its application to physical phenomena - Concise and clear discussions of quantum-mechanical theories and spectrum analysis - Provides both theories and applications
Quantum Theory And Symmetries Procs Of The Second Intl Symp
DOWNLOAD
Author : Andrzej Horzela
language : en
Publisher: World Scientific
Release Date : 2002-06-26
Quantum Theory And Symmetries Procs Of The Second Intl Symp written by Andrzej Horzela and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-06-26 with Science categories.
This book presents the up-to-date status of quantum theory and the outlook for its development in the 21st century. The covered topics include basic problems of quantum physics, with emphasis on the foundations of quantum theory, quantum computing and control, quantum optics, coherent states and Wigner functions, as well as on methods of quantum physics based on Lie groups and algebras, quantum groups and noncommutative geometry.
Uncommon Paths In Quantum Physics
DOWNLOAD
Author : Konstantin V. Kazakov
language : en
Publisher: Elsevier
Release Date : 2014-06-26
Uncommon Paths In Quantum Physics written by Konstantin V. Kazakov and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-06-26 with Science categories.
Quantum mechanics is one of the most fascinating, and at the same time most controversial, branches of contemporary science. Disputes have accompanied this science since its birth and have not ceased to this day. Uncommon Paths in Quantum Physics allows the reader to contemplate deeply some ideas and methods that are seldom met in the contemporary literature. Instead of widespread recipes of mathematical physics, based on the solutions of integro-differential equations, the book follows logical and partly intuitional derivations of non-commutative algebra. Readers can directly penetrate the abstract world of quantum mechanics. - First book in the market that treats this newly developed area of theoretical physics; the book will thus provide a fascinating overview of the prospective applications of this area, strongly founded on the theories and methods that it describes. - Provides a solid foundation for the application of quantum theory to current physical problems arising in the interpretation of molecular spectra and important effects in quantum field theory. - New insight into the physics of anharmonic vibrations, more feasible calculations with improved precision.
Proceedings Of The Second International Symposium On Quantum Theory And Symmetries
DOWNLOAD
Author : Andrzej Horzela
language : en
Publisher: World Scientific
Release Date : 2002
Proceedings Of The Second International Symposium On Quantum Theory And Symmetries written by Andrzej Horzela and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002 with Science categories.
This book presents the up-to-date status of quantum theory and the outlook for its development in the 21st century. The covered topics include basic problems of quantum physics, with emphasis on the foundations of quantum theory, quantum computing and control, quantum optics, coherent states and Wigner functions, as well as on methods of quantum physics based on Lie groups and algebras, quantum groups and noncommutative geometry.
New Methods In Computational Quantum Mechanics
DOWNLOAD
Author : Ilya Prigogine
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-09
New Methods In Computational Quantum Mechanics written by Ilya Prigogine 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 2009-09-09 with Science categories.
The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently. These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretation of chemical phenomena and a guide to laboratory experiments. However, the success of these recent developments in computational quantum chemistry is not well known outside the community of practitioners. In order to make the larger community of chemical physicists aware of the current state of the subject, this self-contained volume of Advances in Chemical Physics surveys a number of the recent accomplishments in computational quantum chemistry. This stand-alone work presents the cutting edge of research in computational quantum mechanics. Supplemented with more than 150 illustrations, it provides evaluations of a broad range of methods, including: * Quantum Monte Carlo methods in chemistry * Monte Carlo methods for real-time path integration * The Redfield equation in condensed-phase quantum dynamics * Path-integral centroid methods in quantum statistical mechanics and dynamics * Multiconfigurational perturbation theory-applications in electronic spectroscopy * Electronic structure calculations for molecules containing transition metals * And more Contributors to New Methods in Computational Quantum Mechanics KERSTIN ANDERSSON, Department of Theoretical Chemistry, Chemical Center, Sweden DAVID M. CEPERLEY, National Center for Supercomputing Applications and Department of Physics, University of Illinois at Urbana-Champaign, Illinois MICHAEL A. COLLINS, Research School of Chemistry, Australian National University, Canberra, Australia REINHOLD EGGER, Fakultät für Physik, Universität Freiburg, Freiburg, Germany ANTHONY K. FELTS, Department of Chemistry, Columbia University, New York RICHARD A. FRIESNER, Department of Chemistry, Columbia University, New York MARKUS P. FÜLSCHER, Department of Theoretical Chemistry, Chemical Center, Sweden K. M. HO, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa C. H. MAK, Department of Chemistry, University of Southern California, Los Angeles, California PER-ÅKE Malmqvist, Department of Theoretical Chemistry, Chemical Center, Sweden MANUELA MERCHán, Departamento de Química Física, Universitat de Valéncia, Spain LUBOS MITAS, National Center for Supercomputing Applications and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Illinois STEFANO OSS, Dipartimento di Fisica, Università di Trento and Istituto Nazionale di Fisica della Materia, Unità di Trento, Italy KRISTINE PIERLOOT, Department of Chemistry, University of Leuven, Belgium W. THOMAS POLLARD, Department of Chemistry, Columbia University, New York BJÖRN O. ROOS, Department of Theoretical Chemistry, Chemical Center, Sweden LUIS SERRANO-ANDRÉS, Department of Theoretical Chemistry, Chemical Center, Sweden PER E. M. SIEGBAHN, Department of Physics, University of Stockholm, Stockholm, Sweden WALTER THIEL, Institut für Organische Chemie, Universität Zürich, Zürich, Switzerland GREGORY A. VOTH, Department of Chemistry, University of Pennsylvania, Pennsylvania C. Z. Wang, Ames Laboratory and Department of Physi
Combining Quantum Mechanics And Molecular Mechanics Some Recent Progresses In Qm Mm Methods
DOWNLOAD
Author :
language : en
Publisher: Academic Press
Release Date : 2010-06-14
Combining Quantum Mechanics And Molecular Mechanics Some Recent Progresses In Qm Mm Methods written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-06-14 with Science categories.
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. - Publishes articles, invited reviews and proceedings of major international conferences and workshops - Written by leading international researchers in quantum and theoretical chemistry - Highlights important interdisciplinary developments
Vibrational Rotational Excitations In Nonlinear Molecular Systems
DOWNLOAD
Author : Alexander A. Ovchinnikov
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Vibrational Rotational Excitations In Nonlinear Molecular Systems written by Alexander A. Ovchinnikov 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 2012-12-06 with Science categories.
"If there would be no God ~ then what a staff-captain am I?" ~ said one of the characters in a novel by Dostoevskii. In a similar way we can exclaim: "If there would be no nonlinearity ~ than what physics would that be'?". Really, the most interesting and exciting effects are described by non linear equations, and vanish in the linear approximation. For example, the general theory of relativity by A.Einstein comes to mind first - one of the most beautiful physical theories, which is in fact essentially nonlinear. Next, the phase transitions crystal ~ liquid and liquid ~ gas are due to the anhar monicity of inter-particle interactions, to dissociation and infinite motion. Similarly, transitions into the superconducting state or the superftuid would be impossible with purely harmonic interaction potentials. Another bril liant achievement in nonlinear physics was the construction of a laser and the subsequent development of nonlinear optics. The latter describes the in teraction of the matter with light of super-high intensity, when multi-quanta intra-molecular transitions become essential. Last, we should note here the very beautiful mathematical theory ~ the theory of catastrophes. Its subject is the study of invariant general properties of multi-dimensional surfaces in the vicinity of bifurcation points with respect to continuous transformations.
Principles And Applications Of Quantum Chemistry
DOWNLOAD
Author : V.P. Gupta
language : en
Publisher: Academic Press
Release Date : 2015-10-15
Principles And Applications Of Quantum Chemistry written by V.P. Gupta and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-15 with Science categories.
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools
Fragmentation Toward Accurate Calculations On Complex Molecular Systems
DOWNLOAD
Author : Mark S. Gordon
language : en
Publisher: John Wiley & Sons
Release Date : 2017-08-04
Fragmentation Toward Accurate Calculations On Complex Molecular Systems written by Mark S. Gordon 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 2017-08-04 with Science categories.
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.