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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| Format: | Article |
| Language: | English |
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MDPI AG
2023-06-01
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| Series: | Computation |
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| Online Access: | https://www.mdpi.com/2079-3197/11/6/119 |
| _version_ | 1797595411784925184 |
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| author | Ágnes Nagy |
| author_facet | Ágnes Nagy |
| author_sort | Ágnes Nagy |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-11T02:37:04Z |
| format | Article |
| id | doaj.art-b2def2e4b9db4c0fb5839501334687dc |
| institution | Directory Open Access Journal |
| issn | 2079-3197 |
| language | English |
| last_indexed | 2024-03-11T02:37:04Z |
| publishDate | 2023-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Computation |
| spelling | doaj.art-b2def2e4b9db4c0fb5839501334687dc2023-11-18T09:54:09ZengMDPI AGComputation2079-31972023-06-0111611910.3390/computation11060119Spherical Subspace Potential Functional TheoryÁgnes Nagy0Department of Theoretical Physics, University of Debrecen, H-4002 Debrecen, HungaryThe 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.https://www.mdpi.com/2079-3197/11/6/119density functional theorypotential functional theorysubspace spherical densities |
| spellingShingle | Ágnes Nagy Spherical Subspace Potential Functional Theory Computation density functional theory potential functional theory subspace spherical densities |
| title | Spherical Subspace Potential Functional Theory |
| title_full | Spherical Subspace Potential Functional Theory |
| title_fullStr | Spherical Subspace Potential Functional Theory |
| title_full_unstemmed | Spherical Subspace Potential Functional Theory |
| title_short | Spherical Subspace Potential Functional Theory |
| title_sort | spherical subspace potential functional theory |
| topic | density functional theory potential functional theory subspace spherical densities |
| url | https://www.mdpi.com/2079-3197/11/6/119 |
| work_keys_str_mv | AT agnesnagy sphericalsubspacepotentialfunctionaltheory |