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martin r electronic structure basic theory 2ed 2020

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Textbook in PDF format 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. Overview and Background Topics Introduction Overview Theoretical Background Periodic Solids and Electron Bands Uniform Electron Gas and sp-Bonded Metals Density Functional Theory Density Functional Theory: Foundations The Kohn–Sham Auxiliary System Functionals for Exchange and Correlation I Functionals for Exchange and Correlation II Important Preliminaries on Atoms Electronic Structure of Atoms Pseudopotentials Determination of Electronic Structure: The Basic Methods Plane Waves and Grids: Basics Plane Waves and Real-Space Methods: Full Calculations Localized Orbitals: Tight-Binding Localized Orbitals: Full Calculations Augmented Functions: APW, KKR, MTO Augmented Functions: Linear Methods Locality and Linear-Scaling O(N) Methods From Electronic Structure to Properties of Matter Quantum Molecular Dynamics (QMD) Response Functions: Phonons and Magnons Excitation Spectra and Optical Properties Surfaces, Interfaces, and Lower-Dimensional Systems Wannier Functions Polarization, Localization, and Berry Phases Electronic Structure and Topology Topology of the Electronic Structure of a Crystal: Introduction Two-Band Models: Berry Phase, Winding, and Topology Topological Insulators I: Two Dimensions Topological Insulators II: Three Dimensions Appendices Appe Functional Equations LSDA and GGA Functionals Adiabatic Approximation Perturbation Theory, Response Functions, and Green’s Functions Dielectric Functions and Optical Properties Coulomb Interactions in Extended Systems Stress from Electronic Structure Energy and Stress Densities Alternative Force Expressions Scattering and Phase Shifts Useful Relations and Formulas Numerical Methods

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Martin R. Electronic Structure. Basic Theory and Practical Methods 2ed 2020.pdf 18.1 MB

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martin r electronic structure basic theory 2ed 2020

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