Update Theory authored by Raffaele Aliberti's avatar Raffaele Aliberti
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title: Theory title: Theory
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# KKRsusc program: Theory # KKRsusc program: Theory
This page should give you a brief introduction to the theoretical This page should give you a brief introduction to the theoretical
...@@ -16,7 +17,7 @@ and a detailed description on the method follow these links: ...@@ -16,7 +17,7 @@ and a detailed description on the method follow these links:
The Kohn-Sham (KS) Green function (GF) is the resolvent of the The Kohn-Sham (KS) Green function (GF) is the resolvent of the
corresponding Hamiltonian, $G_{\text{KS}}(E) = (E - corresponding Hamiltonian, $G_{\text{KS}}(E) = (E -
\mathcal{H}_{\text{KS}})\^{-1}$. In the Korringa-Kohn-Rostoker Green \mathcal{H}_{\text{KS}})^{-1}$. In the Korringa-Kohn-Rostoker Green
function (KKR-GF) method, space is partitioned into nonoverlapping function (KKR-GF) method, space is partitioned into nonoverlapping
regions surrounding the atoms, labeled $i$. These regions are taken as regions surrounding the atoms, labeled $i$. These regions are taken as
spherical in the atomic sphere approximation (ASA), and the KS potential spherical in the atomic sphere approximation (ASA), and the KS potential
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