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Inapplicability of the Hubbard Model for the description of real
strongly correlated electrons

Physica B 199&200, 366 (1994).
The single band Hubbard model assumes that two electrons in an atom
will doubly-occupy the same atomic orbital that is singly occupied when
a single electron is at the atom. This assumption is incorrect, due to the
fact that the spacing of atomic energy levels is always smaller than the
intra-atomic Coulomb repulsion between electrons. Relaxation of this assumption
leads to an effective single-band Hamiltonian where the interatomic hopping
amplitude varies with the atomic charge occupation.
First principles calculations
of the variation in the magnitude of hopping amplitudes are presented and its
possible consequences for superconductivity are discussed.

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