Update Theory authored by Raffaele Aliberti's avatar Raffaele Aliberti
...@@ -3,6 +3,7 @@ title: Theory ...@@ -3,6 +3,7 @@ title: Theory
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# KKRsusc program: 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: 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:
...@@ -32,7 +33,7 @@ Using a new basis set <span dir="">\\ket{\\phi\_{ilb}}</span>, where <span dir=" ...@@ -32,7 +33,7 @@ Using a new basis set <span dir="">\\ket{\\phi\_{ilb}}</span>, where <span dir="
```math ```math
\begin{equation} \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^{'}) 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} \end{equation}
``` ```
The basis function used for the projection is constructed as The basis function used for the projection is constructed as
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