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

Adam Wasserman·Nimrod Moiseyev
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Abstract

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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Adam Wasserman, Nimrod Moiseyev. 2006-12-12. Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems. https://doi.org/10.1103/physrevlett.98.093003

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