1.
J Chem Phys
; 145(12): 124105, 2016 Sep 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-27782652
RESUMO
In the past decade, a number of approaches have been developed to fix the failure of (semi)local density-functional theory (DFT) in describing intermolecular interactions. The performance of several such approaches with respect to highly accurate benchmarks is compared here on a set of separation-dependent interaction energies for ten dimers. Since the benchmarks were unknown before the DFT-based results were collected, this comparison constitutes a blind test of these methods.