Comment on “Density functional theory is straying from the path toward the exact functional”
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DOI: 10.1126/science.aam9364
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.… read more here.
Keywords: density functional; density; functional theory; path toward ... See more keywords
Response to Comment on “Density functional theory is straying from the path toward the exact functional”
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DOI: 10.1126/science.aam9550
Abstract: Kepp argues in his Comment, among other concerns, that the atomic densities we have considered are not relevant to molecular bonding. However, this does not change the main conclusion of our study, that unconstrained fitting… read more here.
Keywords: density functional; comment; response comment; functional theory ... See more keywords