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Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach

G. Kotliar·S. Y. Savrasov·K. Haule·V. S. Oudovenko·O. Parcollet·C. A. Marianetti
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Abstract

We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down. We illustrate the method with several examples where interactions play a dominant role: systems near metal-insulator transition, systems near volume collapse transition, and systems with local moments.

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G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, C. A. Marianetti. 2005-11-03. Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach. https://doi.org/10.1103/revmodphys.78.865

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