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 |
|---|---|
| Pages (from-to) | art. no.-163001 |
| Number of pages | 3 |
| Journal | Physical Review Letters |
| Volume | 87 |
| Issue number | 16 |
| Publication status | Published - 15 Oct 2001 |
Keywords
- BASIS-SETS
- ENERGIES