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Electronic structure of strongly correlated materials : From one-particle to many-body theory

Nilsson, F. LU and Aryasetiawan, F. LU (2017) In Materials Research Express 4(3).
Abstract

One of the great challenges of modern condensed matter theory is to develop reliable and practical methods for describing the electronic structure of strongly correlated materials fully from first principles. It has been known for a long time that the widely used Kohn-Sham density functional theory within the local density approximation (LDA) often fails for these systems. This paper describes the theoretical development of including electron correlations beyond the LDA with emphasis on ab initio methods, starting from the highly successful LDA+U and the many-body Green's function-based GW method to the state-of-the-art combination of dynamical mean-field theory and GW. Apart from reviewing the development so far we also present some... (More)

One of the great challenges of modern condensed matter theory is to develop reliable and practical methods for describing the electronic structure of strongly correlated materials fully from first principles. It has been known for a long time that the widely used Kohn-Sham density functional theory within the local density approximation (LDA) often fails for these systems. This paper describes the theoretical development of including electron correlations beyond the LDA with emphasis on ab initio methods, starting from the highly successful LDA+U and the many-body Green's function-based GW method to the state-of-the-art combination of dynamical mean-field theory and GW. Apart from reviewing the development so far we also present some previously unpublished results.

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author
and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
DMFT, Electron correlations, Electronic structure, GW method, GW+DMFT, LDA+DMFT, LDA+U
in
Materials Research Express
volume
4
issue
3
article number
034001
publisher
IOP Publishing
external identifiers
  • scopus:85016715371
  • wos:000396123600001
ISSN
2053-1591
DOI
10.1088/2053-1591/aa5fa1
language
English
LU publication?
yes
id
57fc22f6-8d32-4277-b3d0-c71e5a3c411a
date added to LUP
2017-05-03 09:29:28
date last changed
2025-01-07 12:19:13
@article{57fc22f6-8d32-4277-b3d0-c71e5a3c411a,
  abstract     = {{<p>One of the great challenges of modern condensed matter theory is to develop reliable and practical methods for describing the electronic structure of strongly correlated materials fully from first principles. It has been known for a long time that the widely used Kohn-Sham density functional theory within the local density approximation (LDA) often fails for these systems. This paper describes the theoretical development of including electron correlations beyond the LDA with emphasis on ab initio methods, starting from the highly successful LDA+U and the many-body Green's function-based GW method to the state-of-the-art combination of dynamical mean-field theory and GW. Apart from reviewing the development so far we also present some previously unpublished results.</p>}},
  author       = {{Nilsson, F. and Aryasetiawan, F.}},
  issn         = {{2053-1591}},
  keywords     = {{DMFT; Electron correlations; Electronic structure; GW method; GW+DMFT; LDA+DMFT; LDA+U}},
  language     = {{eng}},
  month        = {{03}},
  number       = {{3}},
  publisher    = {{IOP Publishing}},
  series       = {{Materials Research Express}},
  title        = {{Electronic structure of strongly correlated materials : From one-particle to many-body theory}},
  url          = {{http://dx.doi.org/10.1088/2053-1591/aa5fa1}},
  doi          = {{10.1088/2053-1591/aa5fa1}},
  volume       = {{4}},
  year         = {{2017}},
}