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

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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.
Original languageEnglish
Article number496
JournalScience
Volume356
Issue number6337
Number of pages3
ISSN0036-8075
DOIs
Publication statusPublished - 2017

Cite this

@article{ed6e6570064b4df5ab2f1bea9953b562,
title = "Comment on {"}Density functional theory is straying from the path toward the exact functional{"}",
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.",
author = "Kepp, {Kasper Planeta}",
year = "2017",
doi = "10.1126/science.aam9364",
language = "English",
volume = "356",
journal = "Science",
issn = "0036-8075",
publisher = "American Association for the Advancement of Science",
number = "6337",

}

Comment on "Density functional theory is straying from the path toward the exact functional". / Kepp, Kasper Planeta.

In: Science, Vol. 356, No. 6337, 496, 2017.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Comment on "Density functional theory is straying from the path toward the exact functional"

AU - Kepp, Kasper Planeta

PY - 2017

Y1 - 2017

N2 - 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.

AB - 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.

U2 - 10.1126/science.aam9364

DO - 10.1126/science.aam9364

M3 - Journal article

VL - 356

JO - Science

JF - Science

SN - 0036-8075

IS - 6337

M1 - 496

ER -