Postgraduate Lectures - Course PY5009: Density functional theory

Lecturers: Mauro Ferreira

Density functional theory syllabus (Mauro Ferreira):

• Introduction to the many-body problem of interacting electrons and nuclei
• Theorems of Hohenberg and Kohn
• Kohn-Sham equations
• Local densisty approximation (LDA)
• Pseudopotential approximation
• Basis sets: plane waves, augmented functions, local orbitals
• Beyond LDA (GGA, exact exchange, SIC, LDA+U, ...)
• Applications