We apply the Poisson equation to the quantum mechanical Coulomb problem for many-particle systems. By introducing a suitable basis set, the two-electron Coulomb integrals become simple overlaps. This offers the possibility of very rapid linear-scaling treatment of the Coulomb contribution to Kohn-Sham theory.
|Pages (from-to)||art. no.-163001|
|Number of pages||3|
|Journal||Physical Review Letters|
|Publication status||Published - 15 Oct 2001|