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The study of electronic structure of materials is at a momentous stage, with new computational methods and advances in basic theory. Many properties of materials can be determined from the fundamental equations, and electronic structure theory is now an integral part of research in physics, chemistry, materials science and other fields. This book provides a unified exposition of the theory and methods, with emphasis on understanding each essential component. New in the second edition are recent advances in density functional theory, an introduction to Berry phases and topological insulators explained in terms of elementary band theory, and many new examples of applications. Graduate students and research scientists will find careful explanations with references to original papers, pertinent reviews, and accessible books. Each chapter includes a short list of the most relevant works and exercises that reveal salient points and challenge the reader.
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The XVIII Lisbon Autumn School brought together physicists from different areas, ranging from QCD to condensed matter. This subject will be of ever-growing importance in the coming years. The topics covered are: Anomalies, Physical Charges, Chiral Symmetry, Vortices (Superconductivity, Solitons, Kosterlitz-Thouless Transitions), Non-trivial Topology on the Lattice, Confinement (Wilson Loops and Strings, Instantons, Abelian Higgs Model, Dual QCD).
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"Based on first principle quantum mechanics, electronic structure theory is widely used in physics, chemistry, materials science, and related fields and has recently received increasing research attention in applied and computational mathematics. This book provides a self-contained, mathematically oriented introduction to the subject and its associated algorithms and analysis. It will help applied mathematics students and researchers with minimal background in physics understand the basics of electronic structure theory and prepare them to conduct research in this area. A Mathematical Introduction to Electronic Structure Theory begins with an elementary introduction of quantum mechanics, including the uncertainty principle and the Hartree-Fock theory, which is considered the starting point of modern electronic structure theory. The authors then provide an in-depth discussion of two carefully selected topics that are directly related to several aspects of modern electronic structure calculations: density matrix based algorithms and linear response theory. Chapter 2 introduces the Kohn-Sham density functional theory with a focus on the density matrix based numerical algorithms, and Chapter 3 introduces linear response theory, which provides a unified viewpoint of several important phenomena in physics and numerics. An understanding of these topics will prepare readers for more advanced topics in this field. The book concludes with the random phase approximation to the correlation energy." [Publisher]
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Molecular structure. --- Electronic structure. --- Electronic structure --- Molecular structure
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Electronic structure --- Congresses --- Gases --- Condensed matter --- Electrons
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Electronic structure --- High temperature superconductors --- Congresses.
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Electronic structure --- Hydrides --- Hydrogen --- Positron annihilation
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Optical Properties of Metal Clusters deals with the electronic structure of metal clusters determined optically. Clusters - as state intermediate between molecules and the extended solid - are important in many areas, e.g. in air pollution, interstellar matter, clay minerals, photography, heterogeneous catalysis, quantum dots, and virus crystals. This book extends the approaches of optical molecular and solid-state methods to clusters, revealing how their optical properties evolve as a function of size. Cluster matter, i.e. extended systems of many clusters - the most frequently occuring form - is also treated. The combination of reviews of experimental techniques, lists of results and detailed descriptions of selected experiments will appeal to experts, newcomers and graduate students in this expanding field.
Electronic structure --- Metal clusters --- Optical properties
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Atomic physics --- Electronic structure --- Chemical bonds --- Solid state physics --- Chemical bonds. --- Electronic structure.
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