Xavier Andrade edited Introduction.tex  over 9 years ago

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\section{Introduction}  Grids are a traditional method for solving partial differential equations in many areas of science.  A real-space grid has been the traditional way of solving the electronic problem on a grid for atomic systems.   The idea of modelling polyatomic molecules was pioneered by Becke~\cite{Becke_1989}, who used a combination of radial-grids centered around each atom.  In 1994 Chelikowsky, Troullierm and Saad~\cite{Chelikowsky_1994} presented a practical approach for the solution of the Kohn-Sham equations using uniform grids combined with pseudo-potentials.