Update Theory authored by Raffaele Aliberti's avatar Raffaele Aliberti
......@@ -2,6 +2,7 @@
title: Theory
---
# KKRsusc program: Theory
This page should give you a brief introduction to the theoretical background of the KKRsusc program. To find more details on the theory and a detailed description on the method follow these links:
......@@ -30,12 +31,16 @@ We now notice that the quantities present in the Green's function (The regular <
Using a new basis set <span dir="">\\ket{\\phi\_{ilb}}</span>, where <span dir="">i</span> accounts for the lattice site, <span dir="">l</span> for the orbital, and <span dir="">b</span> for the energy. One can disentangle the spatial dependence using
```math
\begin{equation}
G^{proj}_{iLb,jL^'b^'}(E) = \int_{0}^{r_{MT}}drr^{2}\int_{0}^{r_{MT}}dr^{'}r^{'2} Y_{L}(\hat{r})\phi_{ilb}(r)G_{iL;jL^{'}}(r,r^{'};E)Y_{L^{'}}(\hat{r}^{'})\phi_{jl^{'}b^{'}}(r^{'})
\end{equation}
```
The basis function used for the projection is constructed as
```math
\begin{equation}
\phi_{ilb} = \frac{R_{il}(R;E_{b}}{\sqrt{\int_{0}^{r_{MT}}dr^{'}r^{'2}(R_{il}(r^{'};E_{b})^{2}}
\end{equation}
```
## Susceptibility
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