Abstract
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.
| Original language | English |
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| Pages (from-to) | art. no.-163001 |
| Journal | Physical Review Letters |
| Volume | 8716 |
| Issue number | 16 |
| Publication status | Published - 1 Oct 2001 |