Spherical Subspace Potential Functional Theory

The recently introduced version of the density functional theory that employs a set of spherically symmetric densities instead of the density has a ‘set-representability problem’. It is not known if a density exists for a given set of the spherically symmetric densities. This problem can be eliminat...

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Bibliographic Details
Published in:Computation 2023-06, Vol.11 (6), p.119
Main Author: Nagy, Ágnes
Format: Article
Language:English
Subjects:
Approximation
Density functional theory
Density functionals
Energy
Mathematical analysis
potential functional theory
Specific gravity
subspace spherical densities
Symmetry
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Summary:The recently introduced version of the density functional theory that employs a set of spherically symmetric densities instead of the density has a ‘set-representability problem’. It is not known if a density exists for a given set of the spherically symmetric densities. This problem can be eliminated if potentials are applied instead of densities as basic variables. Now, the spherical subspace potential functional theory is established.
ISSN:2079-3197
2079-3197
DOI:10.3390/computation11060119