Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.

This book sets out modern methods of computing properties of materials, including essential theoretical background, computational approaches, practical guidelines and instructive applications.

In the excitement and rapid pace of developments, writing pedagogical texts has low priority for most researchers. However, in transforming my lecture l notes into this book, I found a personal benefit: the organization of what I understand in a (hopefully simple) logical sequence. Very little in this text is my original contribution. Most of the knowledge was collected from the research literature. Some was acquired by conversations with colleagues; a kind of physics oral tradition passed between disciples of a similar faith. For many years, diagramatic perturbation theory has been the major theoretical tool for treating interactions in metals, semiconductors, itiner ant magnets, and superconductors. It is in essence a weak coupling expan sion about free quasiparticles. Many experimental discoveries during the last decade, including heavy fermions, fractional quantum Hall effect, high temperature superconductivity, and quantum spin chains, are not readily accessible from the weak coupling point of view. Therefore, recent years have seen vigorous development of alternative, nonperturbative tools for handling strong electron-electron interactions. I concentrate on two basic paradigms of strongly interacting (or con strained) quantum systems: the Hubbard model and the Heisenberg model. These models are vehicles for fundamental concepts, such as effective Ha miltonians, variational ground states, spontaneous symmetry breaking, and quantum disorder. In addition, they are used as test grounds for various nonperturbative approximation schemes that have found applications in diverse areas of theoretical physics.

The exciting field of nanostructured materials offers many challenging perspectives for fundamental research and technological applications. The combination of quantum mechanics, interaction, phase coherence, and magnetism are important for understanding many physical phenomena in these systems. This book provides an overview of many aspects of interacting electrons in nanostructures, including such interesting topics as quantum dots, quantum wires, molecular electronics, dephasing, spintronics, and nanomechanics. The content reflects the current research in this area and is written by leading experts in the field.

An important graduate textbook in condensed matter physics by highly regarded physicist.

Modern electronic devices and novel materials often derive their extraordinary properties from the intriguing, complex behavior of large numbers of electrons forming what is known as an electron liquid. This book provides an in-depth introduction to the physics of the interacting electron liquid in a broad variety of systems, including metals, semiconductors, artificial nano-structures, atoms and molecules. One, two and three dimensional systems are treated separately and in parallel. Different phases of the electron liquid, from the Landau Fermi liquid to the Wigner crystal, from the Luttinger liquid to the quantum Hall liquid are extensively discussed. Both static and time-dependent density functional theory are presented in detail. Although the emphasis is on the development of the basic physical ideas and on a critical discussion of the most useful approximations, the formal derivation of the results is highly detailed and based on the simplest, most direct methods.

As its name suggests, the 1988 workshop on "Interacting Electrons in Reduced Dimen the wide variety of physical effects that are associated with (possibly sions" focused on strongly) correlated electrons interacting in quasi-one- and quasi-two-dimensional mate rials. Among the phenomena discussed were superconductivity, magnetic ordering, the metal-insulator transition, localization, the fractional Quantum Hall effect (QHE), Peierls and spin-Peierls transitions, conductance fluctuations and sliding charge-density (CDW) and spin-density (SDW) waves. That these effects appear most pronounced in systems of reduced dimensionality was amply demonstrated at the meeting. Indeed, when concrete illustrations were presented, they typically involved chain-like materials such as conjugated polymers, inorganic CDW systems and organie conductors, or layered materials such as high-temperature copper-oxide superconductors, certain of the organic superconductors, and the QHE samples, or devices where the electrons are confined to a restricted region of sample, e. g. , the depletion layer of a MOSFET. To enable this broad subject to be covered in thirty-five lectures (and ab out half as many posters), the workshop was deliberately focused on theoretical models for these phenomena and on methods for describing as faithfully as possible the "true" behav ior of these models. This latter emphasis was especially important, since the inherently many-body nature of problems involving interacting electrons renders conventional effec tive single-particle/mean-field methods (e. g. , Hartree-Fock or the local-density approxi mation in density-functional theory) highly suspect. Again, this is particularly true in reduced dimensions, where strong quantum fluctuations can invalidate mean-field results.

Proceedings of the NATO Advanced Research Workshop, held in St. Petersburg, Russia, 13-16 June 2002

This book presents a complementary perspective to Schrödinger theory of electrons in an electromagnetic field, one that does not appear in any text on quantum mechanics. The perspective, derived from Schrödinger theory, is that of the individual electron in the sea of electrons via its temporal and stationary-state equations of motion – the ‘Quantal Newtonian’ Second and First Laws. The Laws are in terms of ‘classical’ fields experienced by each electron, the sources of the fields being quantum-mechanical expectation values of Hermitian operators taken with respect to the wave function. Each electron experiences the external field, and internal fields representative of properties of the system, and a field descriptive of its response. The energies are obtained in terms of the fields. The ‘Quantal Newtonian’ Laws lead to physical insights, and new properties of the electronic system are revealed. New mathematical understandings of Schrödinger theory emerge which show the equation to be intrinsically self-consistent. Another complimentary perspective to Schrödinger theory is its manifestation as a local effective potential theory described via Quantal Density Functional theory. This description too is in terms of ‘classical’ fields and quantal sources. The theory provides a rigorous physical explanation of the mapping from the interacting system to the local potential theory equivalent. The complementary perspective to stationary ground state Schrödinger theory founded in the theorems of Hohenberg and Kohn, their extension to the presence of a magnetic field and to the temporal domain – Modern Density Functional Theory -- is also described. The new perspectives are elucidated by application to analytically solvable interacting systems. These solutions and other relevant wave function properties are derived.

Most textbooks in the field are either too advanced for students or don't adequately cover current research topics. Bridging this gap, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use these techniques in their work.Developed from the author's lecture