Second Quantization-Based Methods in Quantum Chemistry

Second Quantization-Based Methods in Quantum Chemistry
Title Second Quantization-Based Methods in Quantum Chemistry PDF eBook
Author Poul Joergensen
Publisher Elsevier
Pages 185
Release 2012-12-02
Genre Science
ISBN 0323141099

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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.

Stochastic Quantization

Stochastic Quantization
Title Stochastic Quantization PDF eBook
Author Mikio Namiki
Publisher Springer Science & Business Media
Pages 227
Release 2008-10-04
Genre Science
ISBN 3540472177

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This is a textbook on stochastic quantization which was originally proposed by G. Parisi and Y. S. Wu in 1981 and then developed by many workers. I assume that the reader has finished a standard course in quantum field theory. The Parisi-Wu stochastic quantization method gives quantum mechanics as the thermal-equilibrium limit of a hypothetical stochastic process with respect to some fictitious time other than ordinary time. We can consider this to be a third method of quantization; remarkably different from the conventional theories, i. e, the canonical and path-integral ones. Over the past ten years, we have seen the technical merits of this method in quantizing gauge fields and in performing large numerical simulations, which have never been obtained by the other methods. I believe that the stochastic quantization method has the potential to extend the territory of quantum mechanics and of quantum field theory. However, I should remark that stochastic quantization is still under development through many mathematical improvements and physical applications, and also that the fictitious time of the theory is only a mathematical tool, for which we do not yet know its origin in the physical background. For these reasons, in this book, I attempt to describe its theoretical formulation in detail as well as practical achievements.

The Method of Second Quantization

The Method of Second Quantization
Title The Method of Second Quantization PDF eBook
Author F.A. Berazin
Publisher Elsevier
Pages 241
Release 2012-12-02
Genre Science
ISBN 0323159400

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The Method of Second Quantization deals with the method of second quantization and its use to solve problems of quantum mechanics involving an indefinite number of particles, mainly in field theory and quantum statistics. Topics covered include operations on generating functionals; linear canonical transformations; quadratic operators; and Thirring's four-fermion model. State spaces and the simplest operators are also described. This book is comprised of four chapters and begins with an overview of the method of second quantization and the relevant notations. The first chapter focuses on the connections between vectors and functionals and between operators and functionals, together with fundamental rules for operating on functionals. The reader is then introduced to the so-called quadratic operators and the linear canonical transformations closely connected with them. Quadratic operators reduced and not reduced to normal form are considered. The final chapter discusses the Thirring model, the simplest relativistically invariant model in quantum field theory, and explains why it includes infinities. This monograph will be of value to students and practitioners of mathematical physics.

Foundations of Quantization for Probability Distributions

Foundations of Quantization for Probability Distributions
Title Foundations of Quantization for Probability Distributions PDF eBook
Author Siegfried Graf
Publisher Springer
Pages 238
Release 2007-05-06
Genre Mathematics
ISBN 3540455779

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Due to the rapidly increasing need for methods of data compression, quantization has become a flourishing field in signal and image processing and information theory. The same techniques are also used in statistics (cluster analysis), pattern recognition, and operations research (optimal location of service centers). The book gives the first mathematically rigorous account of the fundamental theory underlying these applications. The emphasis is on the asymptotics of quantization errors for absolutely continuous and special classes of singular probabilities (surface measures, self-similar measures) presenting some new results for the first time. Written for researchers and graduate students in probability theory the monograph is of potential interest to all people working in the disciplines mentioned above.

Quantization of Gauge Systems

Quantization of Gauge Systems
Title Quantization of Gauge Systems PDF eBook
Author Marc Henneaux
Publisher Princeton University Press
Pages 556
Release 1992
Genre Mathematics
ISBN 9780691037691

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This book is a systematic study of the classical and quantum theories of gauge systems. It starts with Dirac's analysis showing that gauge theories are constrained Hamiltonian systems. The classical foundations of BRST theory are then laid out with a review of the necessary concepts from homological algebra. Reducible gauge systems are discussed, and the relationship between BRST cohomology and gauge invariance is carefully explained. The authors then proceed to the canonical quantization of gauge systems, first without ghosts (reduced phase space quantization, Dirac method) and second in the BRST context (quantum BRST cohomology). The path integral is discussed next. The analysis covers indefinite metric systems, operator insertions, and Ward identities. The antifield formalism is also studied and its equivalence with canonical methods is derived. The examples of electromagnetism and abelian 2-form gauge fields are treated in detail. The book gives a general and unified treatment of the subject in a self-contained manner. Exercises are provided at the end of each chapter, and pedagogical examples are covered in the text.

Elementary Methods of Molecular Quantum Mechanics

Elementary Methods of Molecular Quantum Mechanics
Title Elementary Methods of Molecular Quantum Mechanics PDF eBook
Author Valerio Magnasco
Publisher Elsevier
Pages 750
Release 2006-12-20
Genre Science
ISBN 008046680X

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Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations.This book aims to bridge the gap between the classic Coulson's Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeeny's Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter.* Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics * Simplifies all mathematical formulae for the reader* Provides educational training in basic methodology

Quantization of Fields with Constraints

Quantization of Fields with Constraints
Title Quantization of Fields with Constraints PDF eBook
Author Dmitri Gitman
Publisher Springer Science & Business Media
Pages 301
Release 2012-12-06
Genre Science
ISBN 364283938X

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Gauge field theories underlie all models now used in elementary particle physics. These theories refer to the class of singular theories which are also theories with constraints. The quantization of singular theories remains one of the key problems of quantum field theory and is being intensively discussed in the literature. This book is an attempt to fill the need for a comprehensive analysis of this problem, which has not heretofore been met by the available monographs and reviews. The main topics are canonical quantization and the path integral method. In addition, the Lagrangian BRST quantization is completely described, for the first time in a monograph. The book also presents a number of original results obtained by the authors, in particular, a complete description of the physical sector of an arbitrary gauge theory, quantization of singular theories with higher theories with time-dependent constraints, and correct derivatives, quantization of canonical quantization of theories of a relativistic point-like particle. As a general illustration we present quantization of field theories such as electrodynamics, Yang-Mills theory, and gravity. It should be noted that this monograph is aimed not only at giving the reader the rules of quantization according to the principle "if you do it this way, it will be good", but also at presenting strong arguments based on the modem interpretation of the classical and quantum theories which show that these methods· are the natural, if not the only possible ones.