Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems.
نویسندگان
چکیده
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.
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عنوان ژورنال:
- Physical review letters
دوره 98 9 شماره
صفحات -
تاریخ انتشار 2007