Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.
This book is the first of a series covering the major topics that are taught in university courses in Theoretical Physics: Mechanics, Electrodynamics, Quantum Theory and Statistical Physics. After an introduction to basic concepts of mechanics more advanced topics build the major part of this book. Interspersed is a discussion of selected problems of motion. This is followed by a concise treatment of the Lagrangian and the Hamiltonian formulation of mechanics, as well as a brief excursion on chaotic motion. The last chapter deals with applications of the Lagrangian formulation to specific systems (coupled oscillators, rotating coordinate systems, rigid bodies). The level of the last sections is advanced. The text is accompanied by an extensive collection of online material, in which the possibilities of the electronic medium are fully exploited, e.g. in the form of applets, 2D- and 3D-animations. It contains: A collection of 74 problems with detailed step-by-step guidance towards the solutions, a collection of comments and additional mathematical details in support of the main text, a complete presentation of all the mathematical tools needed.
Density Functional Theory is a rapidly developing branch of many-particle physics that has found applications in atomic, molecular, solid-state and nuclear physics. This book describes the conceptual framework of density functional theory and discusses in detail the derivation of explicit functionals from first principles as well as their application to Coulomb systems. Both non-relativistic and relativistic systems are treated. The connection of density functional theory with other many-body methods is highlighted. The presentation is self-contained; the book is, thus, well suited for a graduate course on density functional theory.
This book introduces the scattering theory of nonrelativistic systems, a standard tool for interpreting collision experiments with quantum particles at energies not too high. The goal is to explore the interaction between particles and their properties. The authors cover the basics of the theory through a detailed discussion of elastic scattering using the stationary Schrödinger equation and the Lippmann-Schwinger equation. These remarks are supplemented by a consideration of the time-dependent formulation of scattering theory. Selection rules for effective cross sections due to symmetries conditioned by the structure of the interparticle forces and the scattering of spin-polarized particles are discussed. The foundations for the treatment of inelastic processes are laid and explained by application to three-body and nucleotransfer processes. In all chapters, the more technical, mathematical aspect and the more physics-oriented explanations are separated as far as possible. The explanations are well comprehensible and suitable to introduce the reader to the physics of impact processes. This book is a translation of the original German 1st edition Streutheorie in der nichtrelativistischen Quantenmechanik by Reiner M. Dreizler, Tom Kirchner & Cora S. Lüdde, published by Springer-Verlag GmbH Germany, part of Springer Nature in 2018. The translation was done with the help of artificial intelligence (machine translation by the service DeepL.com). The present version has been revised extensively with respect to technical and linguistic aspects by the authors. Springer Nature works continuously to further the development of tools for the production of books and on the related technologies to support the authors.
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