sum_{\mathbf{r}} e^{- i \mathbf{k} \cdot         \mathbf{y}_{\mathbf{r}, \kappa}} \sum_j C_{j, \ell, n, \kappa} R_\text{STO}(y_{\mathbf{r}; \kappa}, Z_{j, \ell,        \kappa}, n_{j, \ell, \kappa}) Y_l^m(\hat{\mathbf{y}}_{\mathbf{r}, \kappa})\, , \\
R_\text{STO}(r; Z, n) &amp; = a_0^{-3/2} \frac{(2Z)^{n + \frac{1}{2}}}{\sqrt{(2n)!}} \left( \frac{r}{a_0}              \right)^{n - 1} e^{-Zr / a_0}\end{split}\]</div>
</div>
<ul class="simple">
<li><p><strong>config</strong></p>
<ul>
<li><p><code class="code do