dc.contributor.author | Penz, Markus | |
dc.contributor.author | van Leeuwen, Robert | |
dc.date.accessioned | 2023-02-20T13:05:04Z | |
dc.date.available | 2023-02-20T13:05:04Z | |
dc.date.issued | 2023 | |
dc.identifier.citation | Penz, M., & van Leeuwen, R. (2023). Geometry of Degeneracy in Potential and Density Space. <i>Quantum</i>, <i>7</i>, Article 918. <a href="https://doi.org/10.22331/q-2023-02-09-918" target="_blank">https://doi.org/10.22331/q-2023-02-09-918</a> | |
dc.identifier.other | CONVID_176919605 | |
dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/85550 | |
dc.description.abstract | In a previous work [J. Chem. Phys. 155, 244111 (2021)], we found counterexamples to the fundamental Hohenberg-Kohn theorem from density-functional theory in finite-lattice systems represented by graphs. Here, we demonstrate that this only occurs at very peculiar and rare densities, those where density sets arising from degenerate ground states, called degeneracy regions, touch each other or the boundary of the whole density domain. Degeneracy regions are shown to generally be in the shape of the convex hull of an algebraic variety, even in the continuum setting. The geometry arising between density regions and the potentials that create them is analyzed and explained with examples that, among other shapes, feature the Roman surface. | en |
dc.format.mimetype | application/pdf | |
dc.language.iso | eng | |
dc.publisher | Verein zur Forderung des Open Access Publizierens in den Quantenwissenschaften | |
dc.relation.ispartofseries | Quantum | |
dc.rights | CC BY 4.0 | |
dc.subject.other | quantum physics | |
dc.subject.other | mathematical physics | |
dc.subject.other | chemical physics | |
dc.title | Geometry of Degeneracy in Potential and Density Space | |
dc.type | article | |
dc.identifier.urn | URN:NBN:fi:jyu-202302201809 | |
dc.contributor.laitos | Fysiikan laitos | fi |
dc.contributor.laitos | Department of Physics | en |
dc.contributor.oppiaine | Nanoscience Center | fi |
dc.contributor.oppiaine | Nanoscience Center | en |
dc.type.uri | http://purl.org/eprint/type/JournalArticle | |
dc.type.coar | http://purl.org/coar/resource_type/c_2df8fbb1 | |
dc.description.reviewstatus | peerReviewed | |
dc.relation.issn | 2521-327X | |
dc.relation.volume | 7 | |
dc.type.version | publishedVersion | |
dc.rights.copyright | © Authors, 2023 | |
dc.rights.accesslevel | openAccess | fi |
dc.relation.grantnumber | 317139 | |
dc.subject.yso | matemaattinen fysiikka | |
dc.subject.yso | kvanttifysiikka | |
dc.format.content | fulltext | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p39546 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p5564 | |
dc.rights.url | https://creativecommons.org/licenses/by/4.0/ | |
dc.relation.doi | 10.22331/q-2023-02-09-918 | |
dc.relation.funder | Research Council of Finland | en |
dc.relation.funder | Suomen Akatemia | fi |
jyx.fundingprogram | Academy Project, AoF | en |
jyx.fundingprogram | Akatemiahanke, SA | fi |
jyx.fundinginformation | R. v. L. further acknowledges the Academy of Finland for support under project no. 317139. | |
dc.type.okm | A1 | |