Computation (Jun 2023)

Spherical Subspace Potential Functional Theory

  • Ágnes Nagy

DOI
https://doi.org/10.3390/computation11060119
Journal volume & issue
Vol. 11, no. 6
p. 119

Abstract

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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.

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