2002/04/25 by M. I. Katsnelson, A. I. Lichtenstein · 117 citations
Materials Science · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Condensed matter physics #Electronic structure #Exchange interaction #Ferromagnetism #Magnetic and transport properties of perovskites and related materials #Magnetic properties of thin films #Mathematics #Monte Carlo method #Perturbation theory (quantum mechanics) #Physics #Quantum #Quantum Monte Carlo #Quantum mechanics #Statistical physics #Vertex (graph theory) #cond-mat.str-el
paper · pdf · doi:10.1140/epjb/e2002-00352-1
published in The European Physical Journal B 30(1), 9-15 (Springer Science+Business Media) · 10 pages, 2 figures
arxiv created 2002/04/25 · openalex publication_date 2002/11/01 · arxiv updated 2009/11/30 · openalex created_date 2022/08/26 · openalex updated_date 2026/07/23
In the framework of ab initio dynamical mean field theory for realistic electronic structure calculations a new perturbation scheme which combine the T-matrix and fluctuating exchange approximations has been proposed. This method is less computationally expensive than numerically exact quantum Monte Carlo technics and give an adequate description of the electronic structure and exchange interactions for magnetic metals. We discuss a simple expression for the exchange interactions corresponding to the neglecting of the vertex corrections which becomes exact for the spin-wave stiffness in the local approximation. Electronic structure, correlation effects and exchange interactions for ferromagnetic nickel have been discussed.