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The plane wave expansions introduced in the last section were
for local potentials (i.e. the potential is identical for each
angular momentum).
![$\displaystyle V^{\rm local}({\bf r}) = \sum_{\bf G} V^{\rm local}({\bf G}) \exp \! \left[ {i {\bf G} \cdot {\bf r}} \right] \enspace ,$](img713.png) |
(205) |
Kohn-Sham orbitals
![$\displaystyle \Phi ({\bf r}) = {1 \over \sqrt{\Omega}} \sum_{\bf G} c_{i}({\bf G}) \exp \! \left[ {i {\bf G} \cdot {\bf r}} \right] \enspace ,$](img714.png) |
(206) |
and the electron density
Costas Bekas
2008-09-04