Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes
(2013) In Physical Review B (Condensed Matter and Materials Physics) 87(11).- Abstract
- We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to capture the features of the strongly correlated regime without breaking the spin or any other symmetry. In particular, it shows "bumps" (or barriers) that give rise to charge localization at low densities and that are a well-known key feature of the exact Kohn-Sham potential for strongly correlated systems. Here, we illustrate this approach for the study of both weakly and strongly correlated model quantum wires, comparing our results with those obtained with the configuration interaction method and with... (More)
- We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to capture the features of the strongly correlated regime without breaking the spin or any other symmetry. In particular, it shows "bumps" (or barriers) that give rise to charge localization at low densities and that are a well-known key feature of the exact Kohn-Sham potential for strongly correlated systems. Here, we illustrate this approach for the study of both weakly and strongly correlated model quantum wires, comparing our results with those obtained with the configuration interaction method and with the usual Kohn-Sham local density approximation. DOI: 10.1103/PhysRevB.87.115146 (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/3749103
- author
- Malet, Francesc ; Mirtschink, Andre ; Cremon, Jonas LU ; Reimann, Stephanie LU and Gori-Giorgi, Paola
- organization
- publishing date
- 2013
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 87
- issue
- 11
- article number
- 115146
- publisher
- American Physical Society
- external identifiers
-
- wos:000316793600002
- scopus:84875734018
- ISSN
- 1098-0121
- DOI
- 10.1103/PhysRevB.87.115146
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Mathematical Physics (Faculty of Technology) (011040002)
- id
- bc4024f2-e7c7-419e-88ba-92cd0385ca98 (old id 3749103)
- date added to LUP
- 2016-04-01 13:37:38
- date last changed
- 2023-11-12 19:38:13
@article{bc4024f2-e7c7-419e-88ba-92cd0385ca98, abstract = {{We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to capture the features of the strongly correlated regime without breaking the spin or any other symmetry. In particular, it shows "bumps" (or barriers) that give rise to charge localization at low densities and that are a well-known key feature of the exact Kohn-Sham potential for strongly correlated systems. Here, we illustrate this approach for the study of both weakly and strongly correlated model quantum wires, comparing our results with those obtained with the configuration interaction method and with the usual Kohn-Sham local density approximation. DOI: 10.1103/PhysRevB.87.115146}}, author = {{Malet, Francesc and Mirtschink, Andre and Cremon, Jonas and Reimann, Stephanie and Gori-Giorgi, Paola}}, issn = {{1098-0121}}, language = {{eng}}, number = {{11}}, publisher = {{American Physical Society}}, series = {{Physical Review B (Condensed Matter and Materials Physics)}}, title = {{Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes}}, url = {{http://dx.doi.org/10.1103/PhysRevB.87.115146}}, doi = {{10.1103/PhysRevB.87.115146}}, volume = {{87}}, year = {{2013}}, }