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Portrait of Stephanie Reimann

Stephanie Reimann

Professor

Portrait of Stephanie Reimann

Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes

Author

  • Francesc Malet
  • Andre Mirtschink
  • Jonas Cremon
  • Stephanie Reimann
  • Paola Gori-Giorgi

Summary, in English

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

Department/s

  • Mathematical Physics
  • NanoLund: Center for Nanoscience

Publishing year

2013

Language

English

Publication/Series

Physical Review B (Condensed Matter and Materials Physics)

Volume

87

Issue

11

Document type

Journal article

Publisher

American Physical Society

Topic

  • Physical Sciences

Status

Published

ISBN/ISSN/Other

  • ISSN: 1098-0121