Density functional theory in electronic structure calculations

Statistical Physics and Complexity Group meeting

Density functional theory in electronic structure calculations

  • Event time: 11:30am
  • Event date: 26th November 2014
  • Speaker: (School of Physics & Astronomy, University of Edinburgh)
  • Location: Room 2511,

Event details

Density functional theory is the workhorse for electronic structure calculations, both for molecular and extended systems. In this talk I will give a brief overview over the many-electron problem, how ideas emerged to solve it using energy densities, and how the field was put onto a solid theoretical footing by Hohenberg, Kohn, and Sham. If time permits, I will present Kato?s theorem on density derivative singularities in Coulombic systems.