Technical Comments

Comment on “Density functional theory is straying from the path toward the exact functional”

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Science  05 May 2017:
Vol. 356, Issue 6337, pp. 496
DOI: 10.1126/science.aam9364

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Abstract

Medvedev et al. (Reports, 6 January 2017, p. 49) argue that recent density functionals stray from the path toward exactness. This conclusion rests on very compact 1s2 and 1s22s2 systems favored by the Hartree-Fock picture. Comparison to actual energies for the same systems indicates that the “straying” is not chemically relevant and is at best specific to the studied dense systems.

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