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• W2045487679 endingPage "096501" @default.
• W2045487679 startingPage "096501" @default.
• W2045487679 abstract "The modern version of the KKR (Korringa–Kohn–Rostoker) method represents the electronic structure of a system directly and efficiently in terms of its single-particle Green's function (GF). This is in contrast to its original version and many other traditional wave-function-based all-electron band structure methods dealing with periodically ordered solids. Direct access to the GF results in several appealing features. In addition, a wide applicability of the method is achieved by employing multiple scattering theory. The basic ideas behind the resulting KKR-GF method are outlined and the different techniques to deal with the underlying multiple scattering problem are reviewed. Furthermore, various applications of the KKR-GF method are reviewed in some detail to demonstrate the remarkable flexibility of the approach. Special attention is devoted to the numerous developments of the KKR-GF method, that have been contributed in recent years by a number of work groups, in particular in the following fields: embedding schemes for atoms, clusters and surfaces, magnetic response functions and anisotropy, electronic and spin-dependent transport, dynamical mean field theory, various kinds of spectroscopies, as well as first-principles determination of model parameters." @default.
• W2045487679 created "2016-06-24" @default.
• W2045487679 creator A5036364436 @default.
• W2045487679 creator A5042088244 @default.
• W2045487679 creator A5068078986 @default.
• W2045487679 date "2011-08-12" @default.
• W2045487679 modified "2023-10-14" @default.
• W2045487679 title "Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications" @default.
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