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Density functional theory generalized to degenerate excited states

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Il Nuovo Cimento B (1971-1996)

Summary

In this paper it is shown that the density functional theory can be generalized to systems with degenerate excited states. There is a one-to-one map between the subspace, spanned by the ground state and any one of the first degenerate excited states, and the sum of their densities; but only a one-way correspondence exists between external potential and subspace, as well as between external potential and the sum of densities. The extension of the Hohenberg-Kohn-Sham theory for degenerate excited states has also been developed.

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Authors and Affiliations

  1. Department of Physics, University of Sherbrooke, JIK 2RI, Sherbrooke, P.Q., Canada

    Tiecheng Li

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  1. Tiecheng Li
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Li, T. Density functional theory generalized to degenerate excited states. Nuov Cim B 106, 711–719 (1991). https://doi.org/10.1007/BF02722538

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  • DOI: https://doi.org/10.1007/BF02722538

PACS 03.65

PACS 31.50

PACS 71.45.Gm

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