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. 2017 Apr 26;7:1192. doi: 10.1038/s41598-017-01251-z

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Accuracy of a PROPhet density functional mapping the Hartree-Fock electronic charge density to the CCSD(T) correlation energy. The underlying neural network consists of a single layer of 80 nodes and was trained on 500 randomly generated NH₃ structures. The errors shown are relative to a CCSD(T) calculation carried out in NWchem for 1000 NH₃ structures not contained in the fit. The dotted black lines denote chemical accuracy.