Introduction To Relativistic Quantum Chemistry

Author : Kenneth G. Dyall,Knut Faegri Jr.
Publisher : Oxford University Press
Page : 544 pages
File Size : 54,7 Mb
Release : 2007-04-19
Category : Science
ISBN : 9780190286378

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Introduction to Relativistic Quantum Chemistry by Kenneth G. Dyall,Knut Faegri Jr. Pdf

This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.

Author : Kenneth G. Dyall,Knut Faegri Jr.
Publisher : Oxford University Press
Page : 544 pages
File Size : 50,9 Mb
Release : 2007-04-19
Category : Science
ISBN : 0198032307

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Introduction to Relativistic Quantum Chemistry by Kenneth G. Dyall,Knut Faegri Jr. Pdf

This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.

Author : Markus Reiher,Alexander Wolf
Publisher : John Wiley & Sons
Page : 780 pages
File Size : 42,6 Mb
Release : 2009-02-17
Category : Science
ISBN : 9783527312924

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Relativistic Quantum Chemistry by Markus Reiher,Alexander Wolf Pdf

"Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists." --Book Jacket.

Author : R. Moss
Publisher : Springer Science & Business Media
Page : 300 pages
File Size : 42,8 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789400956889

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Advanced Molecular Quantum Mechanics by R. Moss Pdf

This book is primarily intended for graduate chemists and chemical physicists. Indeed, it is based on a graduate course that I give in the Chemistry Depart ment of Southampton University. Nowadays undergraduate chemistry courses usually include an introduction to quantum mechanics with particular reference to molecular properties and there are a number of excellent textbooks aimed specifically at undergraduate chemists. In valence theory and molecular spectroscopy physical concepts are often encountered that are normally taken on trust. For example, electron spin and the anomalous magnetic moment of the electron are usually accepted as postulates, although they are well understood by physicists. In addition, the advent of new techniques has led to experimental situations that can only be accounted for adequately by relatively sophisticated physical theory. Relativis tic corrections to molecular orbital energies are needed to explain X-ray photo electron spectra, while the use oflasers can give rise to multiphoton transitions, which are not easy to understand using the classical theory of radiation. Of course, the relevant equations may be extracted from the literature, but, if the underlying physics is not understood, this is a practice that is at best dissatisfy ing and at worst dangerous. One instance where great care must be taken is in the use of spectroscopically determined parameters to test the accuracy of elec tronic wave functions.

Author : Anonim
Publisher : Unknown
Page : 128 pages
File Size : 44,5 Mb
Release : 2024-06-28
Category : Electronic
ISBN : 9789814464123

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Introduction to Relativistic Statistical Mechanics by Anonim Pdf

Author : Silvan S. Schweber
Publisher : Courier Corporation
Page : 930 pages
File Size : 44,8 Mb
Release : 2013-10-10
Category : Science
ISBN : 9780486139609

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An Introduction to Relativistic Quantum Field Theory by Silvan S. Schweber Pdf

Complete, systematic, and self-contained, this text introduces modern quantum field theory. "Combines thorough knowledge with a high degree of didactic ability and a delightful style." — Mathematical Reviews. 1961 edition.

Author : Tommy Ohlsson
Publisher : Cambridge University Press
Page : 311 pages
File Size : 40,5 Mb
Release : 2011-09-22
Category : Science
ISBN : 9781139504324

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Relativistic Quantum Physics by Tommy Ohlsson Pdf

Quantum physics and special relativity theory were two of the greatest breakthroughs in physics during the twentieth century and contributed to paradigm shifts in physics. This book combines these two discoveries to provide a complete description of the fundamentals of relativistic quantum physics, guiding the reader effortlessly from relativistic quantum mechanics to basic quantum field theory. The book gives a thorough and detailed treatment of the subject, beginning with the classification of particles, the Klein–Gordon equation and the Dirac equation. It then moves on to the canonical quantization procedure of the Klein–Gordon, Dirac and electromagnetic fields. Classical Yang–Mills theory, the LSZ formalism, perturbation theory, elementary processes in QED are introduced, and regularization, renormalization and radiative corrections are explored. With exercises scattered through the text and problems at the end of most chapters, the book is ideal for advanced undergraduate and graduate students in theoretical physics.

Author : Luciano Maiani,Omar Benhar
Publisher : CRC Press
Page : 310 pages
File Size : 40,9 Mb
Release : 2015-11-18
Category : Science
ISBN : 9781498722315

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Relativistic Quantum Mechanics by Luciano Maiani,Omar Benhar Pdf

Written by two of the most prominent leaders in particle physics, Relativistic Quantum Mechanics: An Introduction to Relativistic Quantum Fields provides a classroom-tested introduction to the formal and conceptual foundations of quantum field theory. Designed for advanced undergraduate- and graduate-level physics students, the text only requires previous courses in classical mechanics, relativity, and quantum mechanics. The introductory chapters of the book summarize the theory of special relativity and its application to the classical description of the motion of a free particle and a field. The authors then explain the quantum formulation of field theory through the simple example of a scalar field described by the Klein–Gordon equation as well as its extension to the case of spin 1⁄2 particles described by the Dirac equation. They also present the elements necessary for constructing the foundational theories of the standard model of electroweak interactions, namely quantum electrodynamics and the Fermi theory of neutron beta decay. Many applications to quantum electrodynamics and weak interaction processes are thoroughly analyzed. The book also explores the timely topic of neutrino oscillations. Logically progressing from the fundamentals to recent discoveries, this textbook provides students with the essential foundation to study more advanced theoretical physics and elementary particle physics. It will help them understand the theory of electroweak interactions and gauge theories. View the second book in this collection: Electroweak Interactions.

Author : Linus Pauling,E. Bright Wilson
Publisher : Courier Corporation
Page : 496 pages
File Size : 41,6 Mb
Release : 2012-06-08
Category : Science
ISBN : 9780486134932

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Introduction to Quantum Mechanics with Applications to Chemistry by Linus Pauling,E. Bright Wilson Pdf

Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.

Author : Lucjan Piela
Publisher : Elsevier
Page : 1122 pages
File Size : 40,5 Mb
Release : 2006-11-28
Category : Science
ISBN : 9780080466767

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Ideas of Quantum Chemistry by Lucjan Piela Pdf

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet. * Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics

Author : Markus Reiher,Alexander Wolf
Publisher : John Wiley & Sons
Page : 696 pages
File Size : 51,5 Mb
Release : 2009-02-17
Category : Science
ISBN : 3527312927

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Relativistic Quantum Chemistry by Markus Reiher,Alexander Wolf Pdf

"Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists." --Book Jacket.

Author : Charles Nash
Publisher : Courier Corporation
Page : 240 pages
File Size : 47,8 Mb
Release : 2010-06-17
Category : Science
ISBN : 9780486477527

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Relativistic Quantum Fields by Charles Nash Pdf

"This graduate-level text contains statistical and quantitative techniques for performing calculations in quantum field theory. Topics include renormalization, functional differentiation and integration, and the Schwinger-Dyson equations; dimensional regularization; the gauge and infrared properties of quantum electrodynamics; and asymptotic behavior and renormalization group methods. Reference features include an appendix, bibliography, and index. 1978 edition"--

Author : Franz Gross
Publisher : John Wiley & Sons
Page : 643 pages
File Size : 54,8 Mb
Release : 2008-07-11
Category : Science
ISBN : 9783527617340

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Relativistic Quantum Mechanics and Field Theory by Franz Gross Pdf

An accessible, comprehensive reference to modern quantum mechanics and field theory. In surveying available books on advanced quantum mechanics and field theory, Franz Gross determined that while established books were outdated, newer titles tended to focus on recent developments and disregard the basics. Relativistic Quantum Mechanics and Field Theory fills this striking gap in the field. With a strong emphasis on applications to practical problems as well as calculations, Dr. Gross provides complete, up-to-date coverage of both elementary and advanced topics essential for a well-rounded understanding of the field. Developing the material at a level accessible even to newcomers to quantum mechanics, the book begins with topics that every physicist should know-quantization of the electromagnetic field, relativistic one body wave equations, and the theoretical explanation of atomic decay. Subsequent chapters prepare readers for advanced work, covering such major topics as gauge theories, path integral techniques, spontaneous symmetry breaking, and an introduction to QCD, chiral symmetry, and the Standard Model. A special chapter is devoted to relativistic bound state wave equations-an important topic that is often overlooked in other books. Clear and concise throughout, Relativistic Quantum Mechanics and Field Theory boasts examples from atomic and nuclear physics as well as particle physics, and includes appendices with background material. It is an essential reference for anyone working in quantum mechanics today.

Author : James Bjorken
Publisher : McGraw-Hill Science/Engineering/Math
Page : 0 pages
File Size : 53,6 Mb
Release : 1998-09-24
Category : Science
ISBN : 0072320028

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LSC Relativistic Quantum Mechanics by James Bjorken Pdf

In this text the authors develop a propagator theory of Dirac particles, photons, and Klein-Gordon mesons and per- form a series of calculations designed to illustrate various useful techniques and concepts in electromagnetic, weak, and strong interactions. these include defining and implementing the renormalization program and evaluating effects of radia- tive corrections, such as the Lamb shift, in low-order calculations. The necessary background for the book is pro- vided by a course in nonrelativistic quantum mechanics at the general level of Schiff's text, QUANTUM MECHANICS.

Author : Anton Z. Capri
Publisher : World Scientific
Page : 194 pages
File Size : 45,9 Mb
Release : 2002
Category : Science
ISBN : 9812381376

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Relativistic Quantum Mechanics and Introduction to Quantum Field Theory by Anton Z. Capri Pdf

This invaluable textbook is divided into two parts. The first part includes a detailed discussion on the discrete transformations for the Dirac equation, as well as on the central force problem for the Dirac equation. In the second part, the external field problem is examined; pair production and vacuum polarization leading to charge renormalization are treated in detail. Relativistic Quantum Mechanic's and Introduction to Quantum Field Theory has arisen from a graduate course which the author taught for several years at the University of Alberta to students interested in particle physics and field theory.