This course provides an overview of electronic structure theory as applied to materials.

Part 1 (compulsory): Dr Paul Tangney and Dr Johannes Lischner
16 one-hour lectures and 4 rapid feedback sessions in Term 1

Making quantum mechanics tractable for many-electron systems

  • Statement of the problem
  • Mathematically separating electrons and nuclei
  • Calculating electronic properties using the wave function
  • Calculating electronic properties using the density

Using quantum mechanics to compute the properties of materials

  • The mysteries of metals
  • Electrons in cystals
  • From atoms to crystals
  • Beyond the rigid ion approximation

Part 2 (optional advanced): Dr Arash Mostofi
8 hours of classes in Term 2

  • Energy bands in solids
  • Density-functional theory 
  • Wannier functions
  • Electronic excitations