Geometrical Perspective on Spin-Lattice Density-Functional Theory

Abstract

A recently developed viewpoint on the fundamentals of density-functional theory for finite interacting spin-lattice systems that centers around the notion of degeneracy regions is presented. It allows for an entirely geometrical description of the Hohenberg-Kohn theorem and v-representability. The phenomena receive exemplification by an Anderson impurity model and other small-lattice examples. The case of adiabatic change and the time-dependent setting are examined as well.

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• Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons
• Refining ensemble $N$-representability of one-body density matrices from partial information
• Constrained Search in Imaginary Time
• Solving one-body ensemble N-representability problems with spin
• Perspective on Moreau-Yosida Regularization in Density-Functional Theory