Electronic structure calculations with dynamical mean-field theory

Gabriel Kotliar(École Polytechnique), Sergey Y. Savrasov(Commissariat à l'Énergie Atomique et aux Énergies Alternatives), Kristjan Haule(Centre de Physique Théorique), V. S. Oudovenko(Rutgers, The State University of New Jersey), Olivier Parcollet(Commissariat à l'Énergie Atomique et aux Énergies Alternatives), Chris A. Marianetti(École Polytechnique)
Reviews of Modern Physics
August 14, 2006
Cited by 2,581Open Access
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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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