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: Professor Andreas Hermann (School of Physics & Astronomy, University of Edinburgh)
- Location: Room 2511, James Clerk Maxwell Building (JCMB) James Clerk Maxwell Building Peter Guthrie Tait Road Edinburgh EH9 3FD GB
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.
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