Propagators In Quantum Chemistry
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Author | : Jan Linderberg |
Publisher | : John Wiley & Sons |
Total Pages | : 282 |
Release | : 2004-03-26 |
Genre | : Science |
ISBN | : 9780471662570 |
The only authoritative reference source on the propagator concept, now thoroughly revised and updated Much has changed in the study of quantum and theoretical chemistry since the publication of the first edition of Propagators in Quantum Chemistry. Advances in computer power and software packages now make it possible to calculate molecular structure, properties, spectra, and reactivity with greater predictive power. Chemical processes, especially under conditions not readily available in the laboratory, can also be much more easily studied via theory and computations. In this environment, the concept of propagators (or Green's functions) is emerging as an increasingly useful tool in the study of atomic and molecular processes. Propagators in Quantum Chemistry, Second Edition presents the theory and basic approximations of propagators in a unified manner as it provides: * A thorough introduction to propagators, and how they can be used to study atomic and molecular properties and spectra * Updated examples and technical details of the use of the propagator concept in various common approximate treatments * Problems that provide the opportunity to work out further details and applications of the theory Propagators, which are still gaining acceptance as tools in theoretical chemistry, have a long-demonstrated power and success in a number of areas including condensed matter physics. Propagators in Quantum Chemistry clearly describes the unprecedented utility and value of propagators, and explores how and why they are becoming increasingly important to scientists and researchers across the scientific spectrum.
Author | : J. Linderberg |
Publisher | : |
Total Pages | : |
Release | : 1973 |
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ISBN | : |
Author | : Jonathan Robin Bental |
Publisher | : |
Total Pages | : |
Release | : 1982 |
Genre | : |
ISBN | : |
Author | : Willem Hendrik Dickhoff |
Publisher | : World Scientific Publishing Company |
Total Pages | : 851 |
Release | : 2008-05-02 |
Genre | : Science |
ISBN | : 9813101318 |
This comprehensive textbook on the quantum mechanics of identical particles includes a wealth of valuable experimental data, in particular recent results from direct knockout reactions directly related to the single-particle propagator in many-body theory. The comparison with data is incorporated from the start, making the abstract concept of propagators vivid and accessible. Results of numerical calculations using propagators or Green's functions are also presented. The material has been thoroughly tested in the classroom and the introductory chapters provide a seamless connection with a one-year graduate course in quantum mechanics. While the majority of books on many-body theory deal with the subject from the viewpoint of condensed matter physics, this book emphasizes finite systems as well and should be of considerable interest to researchers in nuclear, atomic, and molecular physics. A unified treatment of many different many-body systems is presented using the approach of self-consistent Green's functions. The second edition contains an extensive presentation of finite temperature propagators and covers the technique to extract the self-energy from experimental data as developed in the dispersive optical model.The coverage proceeds systematically from elementary concepts, such as second quantization and mean-field properties, to a more advanced but self-contained presentation of the physics of atoms, molecules, nuclei, nuclear and neutron matter, electron gas, quantum liquids, atomic Bose-Einstein and fermion condensates, and pairing correlations in finite and infinite systems, including finite temperature.
Author | : S.M. Blinder |
Publisher | : Academic Press |
Total Pages | : 436 |
Release | : 2020-10-09 |
Genre | : Science |
ISBN | : 0128223111 |
Introduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers Presents additional problems and exercises to further support learning
Author | : Jochen Schirmer |
Publisher | : Springer |
Total Pages | : 332 |
Release | : 2018-11-02 |
Genre | : Science |
ISBN | : 3319936026 |
This book provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem in molecules. Starting with a general introduction to the atomic and molecular many-electron problem, the book then develops a stringent formalism of field-theoretical many-body theory, culminating in the diagrammatic perturbation expansions of many-body Green's functions or propagators in terms of Feynman diagrams. It also introduces and analyzes practical computational methods, such as the field-tested algebraic-diagrammatic construction (ADC) schemes. The ADC concept can also be established via a wave-function based procedure, referred to as intermediate state representation (ISR), which bridges the gap between propagator and wave-function formulations. Based on the current rapid increase in computer power and the development of efficient computational methods, quantum chemistry has emerged as a potent theoretical tool for treating ever-larger molecules and problems of chemical and physical interest. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.
Author | : Poul Joergensen |
Publisher | : Elsevier |
Total Pages | : 185 |
Release | : 2012-12-02 |
Genre | : Science |
ISBN | : 0323141099 |
Second Quantization-Based Methods in Quantum Chemistry presents several modern quantum chemical tools that are being applied to electronic states of atoms and molecules. Organized into six chapters, the book emphasizes the quantum chemical methods whose developments and implementations have been presented in the language of second quantization. The opening chapter of the book examines the representation of the electronic Hamiltonian, other quantum-mechanical operators, and state vectors in the second-quantization language. This chapter also describes the unitary transformations among orthonormal orbitals in an especially convenient manner. In subsequent chapters, various tools of second quantization are used to describe many approximation techniques, such as Hartree-Fock, perturbation theory, configuration interaction, multiconfigurational Hartree-Fock, cluster methods, and Green’s function. This book is an invaluable source for researchers in quantum chemistry and for graduate-level students who have already taken introductory courses that cover the fundamentals of quantum mechanics through the Hartree-Fock method as applied to atoms and molecules.
Author | : Henrik Bruus |
Publisher | : Oxford University Press |
Total Pages | : 458 |
Release | : 2004-09-02 |
Genre | : Science |
ISBN | : 0198566336 |
The book is an introduction to quantum field theory applied to condensed matter physics. The topics cover modern applications in electron systems and electronic properties of mesoscopic systems and nanosystems. The textbook is developed for a graduate or advanced undergraduate course with exercises which aim at giving students the ability to confront real problems.
Author | : |
Publisher | : Academic Press |
Total Pages | : 401 |
Release | : 2011-06-21 |
Genre | : Science |
ISBN | : 0123860148 |
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This series provides a one-stop resource 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
Author | : Abby L. Parrill |
Publisher | : John Wiley & Sons |
Total Pages | : 392 |
Release | : 2017-03-07 |
Genre | : Science |
ISBN | : 1119356008 |
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise