| Literature DB >> 28473557 |
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.Year: 2017 PMID: 28473557 DOI: 10.1126/science.aam9364
Source DB: PubMed Journal: Science ISSN: 0036-8075 Impact factor: 47.728