Density-functional theory and the<i>v</i>-representability problem for model strongly correlated electron systems
Density-functional theory and the<i>v</i>-representability problem for model strongly correlated electron systems
Inspired by earlier work on the band-gap problem in insulators, we reexamine the treatment of strongly correlated Hubbard-type models within density-functional theory. In contrast to previous studies, the density is fully parametrized by occupation numbers and overlap of orbitals centered at neighboring atomic sites, as is the local potential by …