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
1. Verfasser: Delle Site, Luigi
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.
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.24823