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.
Original language | English |
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Article number | 496 |
Journal | Science |
Volume | 356 |
Issue number | 6337 |
Number of pages | 3 |
ISSN | 0036-8075 |
DOIs | |
Publication status | Published - 2017 |