Relativistic Quantum Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Relativistic Quantum Chemistry write by Markus Reiher. This book was released on 2009-05-13. Relativistic Quantum Chemistry available in PDF, EPUB and Kindle. 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 the contents: * Fundamentals * Relativistic Theory of a Free Electron: Diracï¿1⁄2s Equation * Dirac Theory of a Single Electron in a Central Potential * Many-Electron Theory I: Quantum Electrodynamics * Many-Electron Theory II: Dirac-Hartree-Fock Theory * Elimination of the Small Component * Unitary Transformation Schemes * Relativistic Density Functional Theory * Physical Observables and Molecular Properties * Interpretive Approach to Relativistic Quantum Chemistry 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.
Introduction to Relativistic Quantum Chemistry
Introduction to Relativistic Quantum Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Introduction to Relativistic Quantum Chemistry write by Kenneth G. Dyall. This book was released on 2007-04-19. Introduction to Relativistic Quantum Chemistry available in PDF, EPUB and Kindle. 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.
Relativistic Quantum Mechanics. Wave Equations
Relativistic Quantum Mechanics. Wave Equations - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Relativistic Quantum Mechanics. Wave Equations write by Walter Greiner. This book was released on 2013-03-09. Relativistic Quantum Mechanics. Wave Equations available in PDF, EPUB and Kindle. Relativistic Quantum Mechanics. Wave Equations concentrates mainly on the wave equations for spin-0 and spin-1/2 particles. Chapter 1 deals with the Klein-Gordon equation and its properties and applications. The chapters that follow introduce the Dirac equation, investigate its covariance properties and present various approaches to obtaining solutions. Numerous applications are discussed in detail, including the two-center Dirac equation, hole theory, CPT symmetry, Klein's paradox, and relativistic symmetry principles. Chapter 15 presents the relativistic wave equations for higher spin (Proca, Rarita-Schwinger, and Bargmann-Wigner). The extensive presentation of the mathematical tools and the 62 worked examples and problems make this a unique text for an advanced quantum mechanics course. This third edition has been slightly revised to bring the text up-to-date.
Relativistic Quantum Mechanics
Relativistic Quantum Mechanics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Relativistic Quantum Mechanics write by Hartmut Pilkuhn. This book was released on 2013-06-29. Relativistic Quantum Mechanics available in PDF, EPUB and Kindle. In this book, quantum mechanics is developed from the outset on a relativistic basis, using the superposition principle, Lorentz invariance and gauge invariance. Nonrelativistic quantum mechanics appears as a special case, and classical relativistic mechanics as another one. These special cases are important for giving plausible names to operators, for example "orbital angular momentum", "spin" or "magnetic moment". A subject which is treated for the first time in this book is the theory of binaries in terms of differential equations which have the mathematical structure of the corresponding one-body equations (Klein--Gordon for two spin- less particles, Dirac for two spinor particles).
Relativistic Methods for Chemists
Relativistic Methods for Chemists - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Relativistic Methods for Chemists write by Maria Barysz. This book was released on 2010-04-15. Relativistic Methods for Chemists available in PDF, EPUB and Kindle. “Relativistic Methods for Chemists”, written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy element’s chemistry. The theoretical part of the book focuses on the relativistic methods for molecular calculations discussing relativistic two-component theory, density functional theory, pseudopotentials and correlations. The experimentally oriented chapters describe the use of relativistic methods in different applications focusing on the design of new materials based on heavy element compounds, the role of the spin-orbit coupling in photochemistry and photobiology, and chirality and its relations to relativistic description of matter and radiation. This book is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory.
