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Update theory
authored
Jan 30, 2025
by
Johannes Wasmer
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@@ -12,7 +12,7 @@ and a detailed description on the method follow these links:
The Kohn-Sham (KS) Green function (GF) is the resolvent of the
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
regions surrounding the atoms, labeled $
`i$`
. These regions are taken as
spherical in the atomic sphere approximation (ASA), and the KS potential
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