next up previous
Next: Properties of basis set Up: Contents Previous: Localized spherical-wave basis sets

Basis functions


\begin{displaymath}\left( {1 \over 2} \nabla^2 + E \right)
\chi({\bf r}) = 0; \q...
...ft (\left\vert {\bf r} \right\vert =
R_{\rm {reg}} \right) = 0 \end{displaymath}


\begin{displaymath}\Rightarrow \chi({\bf r}) = \left\{
\begin{array}{ll}
j_{\ell...
...R_{\rm {reg}} \\
0, & r \geq R_{\rm {reg}}
\end{array}\right. \end{displaymath}

1mm
\begin{picture}(240,80)
\put(120,-10){\includegraphics[height=8cm]{sphbess.eps}}...
...10,20){\textcolor{blue}{$\bullet~$}$E = {1 \over 2} q_{n \ell}^2$}
\end{picture}


Peter D. Haynes 2001-11-09