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A mathematical aspect of Hohenberg-Kohn theorem

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Abstract

The Hohenberg-Kohn theorem plays a fundamental role in density functional theory, which has become the most popular and powerful computational approach to study the electronic structure of matter. In this article, we study the Hohenberg-Kohn theorem for a class of external potentials based on a unique continuation principle.

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Acknowledgements

This work was supported by National Natural Science Foundation of China (Grant Nos. 91730302, 9133202 and 11671389), and the Key Research Program of Frontier Sciences of the Chinese Academy of Sciences (Grant No. QYZDJ-SSW-SYS010). The author thanks Mr. Bing Yang for the useful discussion on the unique continuation property and the anonymous referees for their careful reviews and helpful suggestions that improved the presentation of this paper.

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Authors and Affiliations

  1. LSEC, Institute of Computational Mathematics and Scientific/Engineering Computing, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing, 100190, China

    Aihui Zhou

  2. School of Mathematical Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China

    Aihui Zhou

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  1. Aihui Zhou
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Correspondence to Aihui Zhou.

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Zhou, A. A mathematical aspect of Hohenberg-Kohn theorem. Sci. China Math. 62, 63–68 (2019). https://doi.org/10.1007/s11425-018-9337-2

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  • DOI: https://doi.org/10.1007/s11425-018-9337-2

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