Geometrical perspective on spin–lattice density-functional theory
Penz, M., & van Leeuwen, R. (2024). Geometrical perspective on spin–lattice density-functional theory. Journal of Chemical Physics, 161(15), Article 150901. https://doi.org/10.1063/5.0230494
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Journal of Chemical PhysicsDate
2024Copyright
© 2024 Author(s).
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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https://converis.jyu.fi/converis/portal/detail/Publication/243527962
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Academy Project, AoFAdditional information about funding
R.v.L. acknowledges the support from the Finnish Academy under Project No. 356906.License
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