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LDA+DMFT Investigations of Transition Metal Oxides and f-Electron Materials

  • K. Held
  • V. I. Anisimov
  • V. Eyert
  • G. Keller
  • A. K. McMahan
  • I. A. Nekrasov
  • D. Vollhardt
Chapter
Part of the Advances in Solid State Physics book series (ASSP, volume 43)

Abstract

In the last few years LDA+DMFT, the merger of conventional band structure theory in the local density approximation (LDA) with the many-body dynamical mean-field theory (DMFT) has been proven to be a powerful tool for the realistic modeling of strongly correlated electron systems. This paper provides a brief introduction to this novel computational technique and presents the results for two prime examples of strongly correlated electron systems, i.e., the Mott-Hubbard transition in V2O3 and the volume collapse transition in Ce.

Keywords

Coulomb Interaction Local Density Approximation Transition Metal Oxide Mott Transition Quantum Monte Carlo 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Authors and Affiliations

  • K. Held
    • 1
  • V. I. Anisimov
    • 2
  • V. Eyert
    • 3
  • G. Keller
    • 4
  • A. K. McMahan
    • 5
  • I. A. Nekrasov
    • 2
  • D. Vollhardt
    • 4
  1. 1.Max-Planck Institute for Solid State ResearchStuttgartGermany
  2. 2.Institute of Metal PhysicsRussian Academy of Sciences-Ural DivisionYekaterinburgRussia
  3. 3.Institute for Physics, Theoretical Physics II University of AugsburgAugsburgGermany
  4. 4.Theoretical Physics III, Center for Electronic Correlations and MagnetismInstitute for Physics, University of Augsburg AugsburgGermany
  5. 5.Lawrence Livermore National LaboratoryUniversity of CaliforniaLivermoreUSA

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