The mathematics of density functional theory

Specialeforsvar ved Signe Baggesen

Titel: The mathematics of density functional theory

Abstract: General density functional theory (DFT) has been introduced in the Hohenberg-Kohn formulation. We have shown the basic lemma of Hohenberg-Kohn theory and how this leads to the existence of the Hohenberg-Kohn density functional. Following Lieb's approach in "Density Functional Theory for Coulomb Systems", we have introduced the Levy-Lieb and the Lieb density functionals and shown that they can be viewed as extensions of the Hohenberg-Kohn density functional. Finally, we have used tools of variational calculus to show that the Lieb functional is convex, lower semicontinuous and has continuous tangent functionals in the domain of the original Hohenberg-Kohn density functional.

Vejleder: Jan Philip Solovej
Censor: Michael Pedersen