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Update theory
authored
Jan 30, 2025
by
Johannes Wasmer
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@@ -11,8 +11,8 @@ and a detailed description on the method follow these links:
## Projected Green function
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
corresponding Hamiltonian, $G_{
\t
ext{KS}}(E) = (E -
\m
athcal{H}_{
\t
ext{KS}})
\^
{-1}$. 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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