There are No Unfilled Shells in Hartree-Fock Theory

Details There are No Unfilled Shells in Hartree-Fock Theory There are No Unfilled Shells in Hartree-Fock Theory

1993-07-30

arxiv.org/abs/cond-mat/9307066v1

Phys. Rev. Lett., 72 (1994) 2981-2983

Physics

Condensed Matter

5 pages, VBEHLMLJPS--16/July/93

Scientific paper

10.1103/PhysRevLett.72.2981

Hartree-Fock theory is supposed to yield a picture of atomic shells which may
or may not be filled according to the atom's position in the periodic table. We
prove that shells are always completely filled in an exact Hartree-Fock
calculation. Our theorem generalizes to any system having a two-body
interaction that, like the Coulomb potential, is repulsive.

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