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Update Theory
authored
May 09, 2025
by
Raffaele Aliberti
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kkrsusc/theory.md
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title
:
Theory
---
# KKRsusc program: Theory
This page should give you a brief introduction to the theoretical
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The Kohn-Sham (KS) Green function (GF) is the resolvent of the
corresponding Hamiltonian, $G_{
\t
ext{KS}}(E) = (E -
\m
athcal{H}_{
\t
ext{KS}})
\
^
{-1}$. In the Korringa-Kohn-Rostoker Green
\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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