ساختار الکترونی: نظریه پایه و روش های عملی ویرایش دوم

Part I: Overview and Background Topics

• Introduction
• Overview
• Theoretical Background
• Periodic Solids and Electron Bands
• Uniform Electron Gas and sp-Bonded Metals

Part II: Density Functional Theory

• Density Functional Theory: Foundations
• The Kohn–Sham Auxiliary System
• Functionals for Exchange and Correlation I
• Functionals for Exchange and Correlation II

Part III: Important Preliminaries on Atoms

• Electronic Structure of Atoms
• Pseudopotentials

Part IV: 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

Part V: 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

Part VI: 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