Shannon entropy and many-electron correlations: Theoretical concepts, numerical results, and Collins conjecture
In this article, I will discuss the overlap between the concept of Shannon entropy and the concept of electronic correlation. Quantum Monte Carlo numerical results for the uniform electron gas are also presented; these latter on the one hand enhance the hypothesis of a direct link between the two co...
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Veröffentlicht in: | International journal of quantum chemistry 2015-10, Vol.115 (19), p.1396-1404 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | In this article, I will discuss the overlap between the concept of Shannon entropy and the concept of electronic correlation. Quantum Monte Carlo numerical results for the uniform electron gas are also presented; these latter on the one hand enhance the hypothesis of a direct link between the two concepts but on the other hand leave a series of open questions which may be used to trace a roadmap for the future research in the field. © 2014 Wiley Periodicals, Inc.
Links between the electron density of DFT and the many‐body wavefunctions/correlations are put forward in terms of encoding/decoding concepts of information theory. In particular, the concept of Shannon entropy can be employed into the development of electronic correlation functionals, and the Hohenberg−Kohn theorem be seen as a specific case of a more general encoding process. |
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ISSN: | 0020-7608 1097-461X |
DOI: | 10.1002/qua.24823 |