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Quantum Theory Of Anharmonic Effects In Molecules
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Book Synopsis Quantum Theory of Anharmonic Effects in Molecules by : Konstantin V. Kazakov
Download or read book Quantum Theory of Anharmonic Effects in Molecules written by Konstantin V. Kazakov and published by Elsevier. This book was released on 2012-07-09 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Quantum Theory of Anharmonic Effects in Molecules by : Konstantin V. Kazakov
Download or read book Quantum Theory of Anharmonic Effects in Molecules written by Konstantin V. Kazakov and published by Elsevier. This book was released on 2012-10-22 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Uncommon Paths in Quantum Physics by : Konstantin V. Kazakov
Download or read book Uncommon Paths in Quantum Physics written by Konstantin V. Kazakov and published by Elsevier. This book was released on 2014-06-26 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis The Quantum Theory of Atoms in Molecules by : Chérif F. Matta
Download or read book The Quantum Theory of Atoms in Molecules written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2007-04-09 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.
Book Synopsis New Methods in Computational Quantum Mechanics by : Ilya Prigogine
Download or read book New Methods in Computational Quantum Mechanics written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 812 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Quantum Theory and Symmetries by : Edward Kapuscik
Download or read book Quantum Theory and Symmetries written by Edward Kapuscik and published by World Scientific. This book was released on 2002-06-26 with total page 648 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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. Contents:The Interacting Fock Space of Haldane's Exclusion Statistics (L Accardi & M Nhani)Complex Hamiltonians Having Real Spectra (C M Bender)From Rsonances to Poincaré Semigroups (A R Bohm et al.)Quantum Field Theory as Dynamical System (H J Borchers)Beta-lattices for Aperiodic Order (J-P Gazeau)Generalized Symmetries and Time (M Heller)Integrable Hierarchies and the WDVV-equations (G F Helminck)Global Gauss Law for Lattice QCD (J Kijowski & G Rudolph)Quantum Entanglement and Symmetries (M Kus)From Noncommutative Space-time to Quantum Relativistic Symmetries with Fundamental Mass Parameter (J Lukierski)Tomographic Map within the Framework of Star-product Quantization (O V Man'ko et al.)Algorithmic Cooling and Scalable Quantum Computers: Ways to Improve the Space-time Requirements of the Algorithm (T Mor & Y Weinstein)Quantum Theory on the Torus with Magnetic Field (H Narnhofer)Nonlocal Reflection by Photonic Barriers (G Nimtz & A Haibel)Lightfront Formalism versus Holography & Chiral Scanning (B Schroer)Broken Symmetries (W Thirring)Guage Theories on Non-communtative Spaces (J Wess) Readership: Researchers, lecturers and graduate students in theoretical, mathematical and quantum physics. Keywords:
Book Synopsis Proceedings of the Second International Symposium on Quantum Theory and Symmetries by : Andrzej Horzela
Download or read book Proceedings of the Second International Symposium on Quantum Theory and Symmetries written by Andrzej Horzela and published by World Scientific. This book was released on 2002 with total page 646 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Quantum Theory of Atoms, Molecules, and the Solid State by : John Clarke Slater
Download or read book Quantum Theory of Atoms, Molecules, and the Solid State written by John Clarke Slater and published by . This book was released on 1966 with total page 674 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Physics and Elements of Quantum Chemistry by : Hermann Haken
Download or read book Molecular Physics and Elements of Quantum Chemistry written by Hermann Haken and published by Springer Science & Business Media. This book was released on 2013-04-18 with total page 601 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook introduces the molecular and quantum chemistry needed to understand the physical properties of molecules and their chemical bonds. It follows the authors' earlier textbook "The Physics of Atoms and Quanta" and presents both experimental and theoretical fundamentals for students in physics and physical and theoretical chemistry. The new edition treats new developments in areas such as high-resolution two-photon spectroscopy, ultrashort pulse spectroscopy, photoelectron spectroscopy, optical investigation of single molecules in condensed phase, electroluminescence, and light-emitting diodes.
Book Synopsis Molecular Quantum Mechanics by : Peter W. Atkins
Download or read book Molecular Quantum Mechanics written by Peter W. Atkins and published by Oxford University Press. This book was released on 2011 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Relativistic Quantum Theory of Atoms and Molecules by : Ian P Grant
Download or read book Relativistic Quantum Theory of Atoms and Molecules written by Ian P Grant and published by Springer Science & Business Media. This book was released on 2007-04-15 with total page 813 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.
Book Synopsis Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods by :
Download or read book Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods written by and published by Academic Press. This book was released on 2010-06-14 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Atoms in Molecules by : Richard F. W. Bader
Download or read book Atoms in Molecules written by Richard F. W. Bader and published by Oxford University Press. This book was released on 1990 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular structure hypothesis--the proposition that a molecule is a collection of atoms linked by a network of bonds--provides the principal means of ordering and classifying observations in chemistry. It is not, however, directly related to the physics which govern the motions of atomic nuclei and electrons. This important book develops a theory establishing that molecular structure--with properties predicted and defined by the laws of quantum mechanics--can be explained in terms of underlying physics. As a result, the classification based upon the concept of atoms in molecules is freed from its empirical constraints and the full predictive power of quantum mechanics can be incorporated into the resulting theory--a theory of atoms in molecules. Eminently accessible and readable, this unique book will interest all physical scientists who use the concepts of atoms, bonds, and structure in the interpretation of their work.
Book Synopsis Laser Experiments for Chemistry and Physics by : Robert N. Compton
Download or read book Laser Experiments for Chemistry and Physics written by Robert N. Compton and published by Oxford University Press. This book was released on 2016 with total page 415 pages. Available in PDF, EPUB and Kindle. Book excerpt: A collection of experiments to introduce lasers into the undergraduate curricula in chemistry and physics. A variety of experiments are included with different levels of complexity. All have background information, experimental details and the theoretical background necessary to interpret the results.
Book Synopsis Fragmentation: Toward Accurate Calculations on Complex Molecular Systems by : Mark S. Gordon
Download or read book Fragmentation: Toward Accurate Calculations on Complex Molecular Systems written by Mark S. Gordon and published by John Wiley & Sons. This book was released on 2017-10-23 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Physics and Chemistry at Low Temperatures by : Leonid Khriachtchev
Download or read book Physics and Chemistry at Low Temperatures written by Leonid Khriachtchev and published by CRC Press. This book was released on 2019-05-08 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Tunneling reactions in chemistry are characterized by the low-temperature limit when the classical contribution is negligible. Many practical applications benefit from the lack of heat and have a deep physical basis. Interesting advantages of chemical synthesis at low temperatures have also been demonstrated. This book covers fundamental and practical aspects of the processes and experimental and theoretical methods used in the field. The chapters are written by leading scientists who have very strong experience in the selected topics, and many practical recommendations can be found in this book.
Book Synopsis Molecular and Chemical Physics, Chemistry, Biological Effects, Geo and Planetary Sciences, New Resources, Dynamic Pressures, High Pressure Safety by : B. Vodar
Download or read book Molecular and Chemical Physics, Chemistry, Biological Effects, Geo and Planetary Sciences, New Resources, Dynamic Pressures, High Pressure Safety written by B. Vodar and published by Elsevier. This book was released on 2017-05-23 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: High Pressure Science and Technology, Volume 2 contains the proceedings of the Association Internationale for Research and Advancement of High Pressure Science and Technology's VIIth International Conference held in Le Creusot, France, from July 30 to August 3, 1979. The papers explore a wide range of topics relating to high pressure science and technology, including molecular and chemical physics; melting and dense fluids; liquid crystals; molecular thermophysical properties; light scattering; intermolecular spectroscopy; high-temperature, high-pressure fluids; and properties of earth materials. This volume is comprised of 128 chapters and begins by calculating equations of state for static molecular and metallic hydrogen using the density functional method. The following chapters discuss the effect of density on the induced near infrared absorption spectrum of solid molecular hydrogen at 4.2 K; vibrational relaxation in highly compressed hydrogen; the dual melting curves of carbon tetrachloride; and the statistical theory of polymorphic phase transitions and crystallization. Alkane chain conformation as a function of pressure is also examined, along with high pressure thermodynamics and phase equilibria of fluid mixtures. The remaining sections focus on the lithosphere, athenosphere, and the behavior of dense materials. This book will be a valuable resource for materials scientists, metallurgists, physicists, chemists, and mechanical engineers.
