Geometrical perspective on spin–lattice density-functional theory

Penz, M.; van Leeuwen, R.

doi:10.1063/5.0230494

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Geometrical perspective on spin–lattice density-functional theory

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Penz, M.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;

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https://arxiv.org/abs/2407.20260
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https://doi.org/10.1063/5.0230494
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https://mage.uber.space/dokuwiki/material/fermion-graph
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150901_1_5.0230494.pdf
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Citation

Penz, M., & van Leeuwen, R. (2024). Geometrical perspective on spin–lattice density-functional theory. The Journal of Chemical Physics, 161(15): 150901. doi:10.1063/5.0230494.

Cite as: https://hdl.handle.net/21.11116/0000-000F-B089-F

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.