Poisson equation in the Kohn-Sham Coulomb problem

FR Manby, Peter Knowles

Research output: Contribution to journalArticle

52 Citations (Scopus)


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 languageEnglish
Pages (from-to)art. no.-163001
JournalPhysical Review Letters
Issue number16
Publication statusPublished - 1 Oct 2001


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