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Rev. Mod. Phys. 78, 865–951 (2006)

Electronic structure calculations with dynamical mean-field theory

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G. Kotliar
Department of Physics and Astronomy and Center for Condensed Matter Theory, Rutgers University, Piscataway, New Jersey 08854-8019, USA; Service de Physique Theorique, CEA Saclay, 91191 Gif-Sur-Yvette, France; and Centre de Physique Theorique, Ecole Polytechnique, 91128 Palaiseau Cedex, France

S. Y. Savrasov
Department of Physics, University of California, Davis, California 95616, USA

K. Haule
Department of Physics and Astronomy and Center for Condensed Matter Theory, Rutgers University, Piscataway, New Jersey 08854-8019, USA and Jozef Stefan Institute, SI-1000 Ljubljana, Slovenia

V. S. Oudovenko
Department of Physics and Astronomy and Center for Condensed Matter Theory, Rutgers University, Piscataway, New Jersey 08854-8019, USA and Bogoliubov Laboratory for Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna, Russia

O. Parcollet
Service de Physique Théorique, CEA/DSM/SPhT—CNRS/SPM/URA 2306, CEA Saclay, 91191 Gif-Sur-Yvette, France

C. A. Marianetti
Department of Physics and Astronomy and Center for Condensed Matter Theory, Rutgers University, Piscataway, New Jersey 08854-8019, USA

Published 14 August 2006

A review of the basic ideas and techniques of the spectral density-functional theory is presented. This method is currently used for electronic structure calculations of strongly correlated materials where the one-electron description breaks down. The method is illustrated with several examples where interactions play a dominant role: systems near metal-insulator transitions, systems near volume collapse transitions, and systems with local moments.

© 2006 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/RevModPhys.78.865
DOI:
10.1103/RevModPhys.78.865
PACS:
71.20.−b, 71.27.+a, 75.30.−m