Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems

Details Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems

2006-12-12

arxiv.org/abs/cond-mat/0612284v1

Physics

Condensed Matter

Other Condensed Matter

4 pages, 3 figures

Scientific paper

We show that under well-defined conditions the Hohenberg-Kohn theorem (HKT) can be extended to the lowest-energy resonance of unbound systems. Using the Gel'fand Levitan theorem, the extended version of the HKT can also be applied to systems that support a finite number of bound states. The extended version of the HKT provides an adequate framework to carry out DFT calculations of negative electron affinities.

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