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

2005/11/03 by G. Kotliar, S. Y. Savrasov, K. Haule +3 · 2 citations
Physics and Astronomy · #cond-mat.str-el

paper · pdf · doi:10.1103/revmodphys.78.865

published as Rev. Mod. Phys. 78, 865 (2006) (87 pages) · 88 pages. Submitted to Review of Modern Physics

arxiv created 2005/11/03 · arxiv updated 2009/12/01

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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