Geometrical perspective on spin–lattice density-functional theory
| dc.contributor.author | Penz, Markus | |
| dc.contributor.author | van Leeuwen, Robert | |
| dc.date.accessioned | 2024-10-16T10:44:32Z | |
| dc.date.available | 2024-10-16T10:44:32Z | |
| dc.date.issued | 2024 | |
| dc.identifier.citation | Penz, M., & van Leeuwen, R. (2024). Geometrical perspective on spin–lattice density-functional theory. <i>Journal of Chemical Physics</i>, <i>161</i>(15), Article 150901. <a href="https://doi.org/10.1063/5.0230494" target="_blank">https://doi.org/10.1063/5.0230494</a> | |
| dc.identifier.other | CONVID_243527962 | |
| dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/97471 | |
| dc.description.abstract | 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. | en |
| dc.format.mimetype | application/pdf | |
| dc.language.iso | eng | |
| dc.publisher | AIP Publishing | |
| dc.relation.ispartofseries | Journal of Chemical Physics | |
| dc.rights | CC BY 4.0 | |
| dc.title | Geometrical perspective on spin–lattice density-functional theory | |
| dc.type | article | |
| dc.identifier.urn | URN:NBN:fi:jyu-202410166337 | |
| dc.contributor.laitos | Fysiikan laitos | fi |
| dc.contributor.laitos | Department of Physics | 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 | 0021-9606 | |
| dc.relation.numberinseries | 15 | |
| dc.relation.volume | 161 | |
| dc.type.version | publishedVersion | |
| dc.rights.copyright | © 2024 Author(s). | |
| dc.rights.accesslevel | openAccess | fi |
| dc.relation.grantnumber | 356906 | |
| dc.subject.yso | kvanttifysiikka | |
| dc.subject.yso | matemaattinen fysiikka | |
| dc.subject.yso | tiheysfunktionaaliteoria | |
| dc.format.content | fulltext | |
| jyx.subject.uri | http://www.yso.fi/onto/yso/p5564 | |
| jyx.subject.uri | http://www.yso.fi/onto/yso/p39546 | |
| jyx.subject.uri | http://www.yso.fi/onto/yso/p28852 | |
| dc.rights.url | https://creativecommons.org/licenses/by/4.0/ | |
| dc.relation.doi | 10.1063/5.0230494 | |
| 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. acknowledges the support from the Finnish Academy under Project No. 356906. | |
| dc.type.okm | A1 |
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