Electronic structure calculations with dynamical mean-field theory

G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti
Rev. Mod. Phys. 78, 865 – Published 14 August 2006

Abstract

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.

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    DOI:https://doi.org/10.1103/RevModPhys.78.865

    ©2006 American Physical Society

    Authors & Affiliations

    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

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    Issue

    Vol. 78, Iss. 3 — July - September 2006

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