TY - JOUR
T1 - There are no unfilled shells in unrestricted Hartree-Fock theory
AU - Bach, Volker
AU - Lieb, Elliott H.
AU - Loss, Michael
AU - Solovej, Jan Philip
PY - 1994
Y1 - 1994
N2 - We prove that in an exact, unrestricted Hartree-Fock calculation each energy level of the Hartree-Fock equation is either completely filled or completely empty. The only assumption needed is that the two-body interaction is like the Coulomb interaction repulsive; it could, however, be more complicated than a simple potential; e.g., it could have tensor forces and velocity dependence. In particular, the Hartree-Fock energy levels of atoms and molecules, often called shells, are never partially filled.
AB - We prove that in an exact, unrestricted Hartree-Fock calculation each energy level of the Hartree-Fock equation is either completely filled or completely empty. The only assumption needed is that the two-body interaction is like the Coulomb interaction repulsive; it could, however, be more complicated than a simple potential; e.g., it could have tensor forces and velocity dependence. In particular, the Hartree-Fock energy levels of atoms and molecules, often called shells, are never partially filled.
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U2 - 10.1103/PhysRevLett.72.2981
DO - 10.1103/PhysRevLett.72.2981
M3 - Article
C2 - 10056037
AN - SCOPUS:0000203351
SN - 0031-9007
VL - 72
SP - 2981
EP - 2983
JO - Physical review letters
JF - Physical review letters
IS - 19
ER -