Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems.
We show that under well-defined conditions the Hohenberg-Kohn theorem (HKT) that provides the foundation of ground-state density functional theory (DFT) can be extended to the lowest-energy resonance of unbound electronic systems. The extended version of the HKT provides an adequate framework to carry out DFT calculations of negative electron affinities.
Wasserman
Adam
A
Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford St., Cambridge Massachusetts 02138, USA.
Moiseyev
Nimrod
N