Course Outline
- Introduction
- The Electronic Structure Problem in Condensed Matter
- Ground Electronic State Properties vs. Excitations
- Limiting Behaviors of Electrons in solids
- Extended band-like (weakly-correlated) vs.
- Localized atomic-like (strongly-correlated) behavior
- Examples: H, Na, Si, Cu, Ni, NiO, La2CuO4, Ce,Tb
- The Greatest Challenges: Transitions and Crossovers
- Theoretical Background
- Independent Electron Approaches
- Basic Theoretical Foundations
- Density Functional Theory for the ground state
- Examples of widely-used functionals: LDA, GGAs
- Examples in atoms - solution of 1d equations and results
- Electron Bands in Crystals
- Bloch Theorem and solution in terms of plane waves
- Pseudopotentials for accurate plane wave calculations
- Local Orbital and Tight-binding methods
- Linearized muffin tin approaches
- Iterative methods: Plane wave and grids in real space
- Iterative Solutions and atomic motion
- Car-Parrinello classical Molecular Dynamics for electrons and atoms
- Examples of Results
- Bands in selected materials
- Total energies: stable crystal structures; phase transitions; phonons
- Simulations of liquids, alloys, disordered magnets, amorphous materials, etc.
- Further topics
- Perturbation theory ("2n+1 theorem")
- Linear scaling Order N methods
- Functionals beyond LDA and GGAs
- Many-Body Approaches (to be modified later in course)
- Key theoretical constructs
- Quasiparticles, Fermi Liquid Theory, Luttinger theorem
- Prototype problems
- Jellium, Hubbard model, Anderson/Kondo model, Mott Insulator
- Ground State methods
- Quantum Monte Carlo
- Excited States
- Greens function methods for Quasiparticles, Hedin’s "GW" approach
- Strongly Correlated Prototype Problems
- Impurity Problems
- Anderson/Kondo Problem and Heavy Fermions
- Mott Insulator Problem
- Hubbard Models and "Hi-Tc" problems