Geometrical perspective on spin-lattice density-functional theory.

J Chem Phys

Department of Physics, Nanoscience Center, University of Jyväskylä, Jyväskylä, Finland.

Published: October 2024

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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http://dx.doi.org/10.1063/5.0230494DOI Listing

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