Poisson equation in the Kohn-Sham Coulomb problem

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Manby, F. R.; Knowles, Peter James;
(2001)

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 C... View more
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    tol, Bristol BS8 1TS, United Kingdom.

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