Introduction To Relativistic Quantum Chemistry
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Introduction To Relativistic Quantum Chemistry
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Author : Kenneth G. Dyall
language : en
Publisher: Oxford University Press
Release Date : 2007-04-19
Introduction To Relativistic Quantum Chemistry written by Kenneth G. Dyall and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-04-19 with Science categories.
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.
Advanced Molecular Quantum Mechanics
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Author : R. Moss
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Advanced Molecular Quantum Mechanics written by R. Moss 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.
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.
Relativistic Quantum Mechanics
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Author : Luciano Maiani
language : en
Publisher: CRC Press
Release Date : 2015-11-18
Relativistic Quantum Mechanics written by Luciano Maiani and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-18 with Science categories.
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 p
An Introduction To Relativistic Quantum Field Theory
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Author : Silvan S. Schweber
language : en
Publisher: Courier Corporation
Release Date : 2013-10-10
An Introduction To Relativistic Quantum Field Theory written by Silvan S. Schweber and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-10 with Science categories.
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.
Introduction To Relativistic Quantum Chemistry
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Author : Kenneth G. Dyall
language : en
Publisher: Oxford University Press
Release Date : 2007-04-19
Introduction To Relativistic Quantum Chemistry written by Kenneth G. Dyall and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-04-19 with Science categories.
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.
Handbook Of Relativistic Quantum Chemistry
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Author : Wenjian Liu
language : en
Publisher: Springer
Release Date : 2016-06-15
Handbook Of Relativistic Quantum Chemistry written by Wenjian Liu and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-06-15 with Science categories.
This handbook covers new methodological developments and applications of relativistic quantum chemistry. It also pays attention to the foundation of relativistic quantum mechanics and addresses a number of fundamental issues that have not been covered by any book. For instance, what is the appropriate relativistic many-electron Hamiltonian? How to do relativistic explicit/local correlation? How to formulate relativistic properties? How to combine double-group and time-reversal symmetries? How to do QED calculations for molecules? Just to name a few. This book aims to establish the big picture of relativistic molecular quantum mechanics, ranging from pedagogic introduction for uninitiated readers, advanced methodologies and efficient algorithms for experts, to possible future perspectives, such that the reader knows when/how to apply/develop the methodologies. This self-contained two-volume book can be regarded as a supplement to the three-volume "Handbook of Computational Chemistry", which contains no relativity at all. It is to be composed of 6 sections with different chapters (will be further expanded), each of which is to be written by the most active experts, who will be invited upon approval of this proposal.
Relativistic Quantum Mechanics And Introduction To Quantum Field Theory
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Author : Anton Z. Capri
language : en
Publisher: World Scientific
Release Date : 2002
Relativistic Quantum Mechanics And Introduction To Quantum Field Theory written by Anton Z. Capri 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 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.
Relativistic Quantum Mechanics
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Author : Luciano Maiani
language : en
Publisher:
Release Date : 2024
Relativistic Quantum Mechanics written by Luciano Maiani and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024 with Quantum theory categories.
"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 summarise 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 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 analysed. 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"--
Introductory Quantum Physics And Relativity
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Author : Jacob Dunningham
language : en
Publisher: World Scientific
Release Date : 2018-04-09
Introductory Quantum Physics And Relativity written by Jacob Dunningham and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-04-09 with categories.
This book is a revised and updated version of Introductory Quantum Physics and Relativity. Based on lectures given as part of the undergraduate degree programme at the University of Leeds, it has been extended in line with recent developments in the field. The book contains all the material required for quantum physics and relativity in the first three years of a traditional physics degree, in addition to more interesting and up-to-date extensions and applications which include quantum field theory, entanglement, and quantum information science. The second edition is unique as an undergraduate textbook as it combines quantum physics and relativity at an introductory level. It expounds the foundations of these two subjects in detail, but also illustrates how they can be combined. It discusses recent applications, but also exposes undergraduates to cutting-edge research topics, such as laser cooling, Bose-Einstein condensation, tunneling microscopes, lasers, nonlocality, and quantum teleportation. Contents: IntroductionOld Quantum TheoryQuantum MechanicsApplications of Quantum MechanicsSchrödinger Equation in Three DimensionsSpin and StatisticsAtoms, Molecules and LasersFormal Structure of Quantum MechanicsSecond Revolution: RelativityFine Structure of the Hydrogen AtomRelativistic Quantum MechanicsQuantum EntanglementSolutions Readership: Students taking undergraduate-level courses in quantum physics and relativity. Keywords: Quantum Physics;RelativityReview: Key Features: Combines Quantum Physics and Relativity. Covers the two subjects in a more coherent way than existing books. Many universities teach quantum physics and relativity together as one lecture course and so a book that covers both but also shows how they can be combined is a valuable resourceModern Choice of Topics. We will draw on topics from our own research to bring the two subjects up to date and give students a taste of cutting edge research. Examples will include such things as laser cooling, Bose condensation, tunneling microscopes, lasers, Bell's inequalities, quantum teleportationHas questions and answers -- ideal for self-study. This is pitched at typical exam level and so will be excellent for exam practice
Relativistic Quantum Chemistry
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Author : Markus Reiher
language : en
Publisher: John Wiley & Sons
Release Date : 2009-02-17
Relativistic Quantum Chemistry written by Markus Reiher 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 2009-02-17 with Science categories.
"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.
