Electronic structure and Quantum Simulations of Materials (adv I and II)

Advanced course given by Stefano Baroni, Andrea Dal Corso

Term: 2

Start: 14-01-2019 End: 28-03-2019 Room: 131

Credits: 4

Schedule: Mon 11:00 - 13:30, Thu 14:00 - 16:30

Program

  • Relativistic effects and spin-orbit coupling within density functional theory.
  • The Plane-Wave Pseudo-Potential method for Spin Orbit interaction.
  • Density-Functional Perturbation Theory, general formulation.
  • Phonons, temperature, vibrational thermodynamics.