Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 21(19), p. 13481-13487, 2017
DOI: 10.1039/c7cp00709d
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Partnering dispersion corrections with modern parameter-free double-hybrid density functionals
Journal article published in 2017 by
Juan-Carlos Sancho-García 
,
É. Brémond,
{É}ric Brémond,
Marika Savarese ,
Aj J. Pérez-Jiménez,
Carlo Adamo
,
É. Brémond,
{É}ric Brémond,
Marika Savarese ,
Aj J. Pérez-Jiménez,
Carlo Adamo
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Abstract
The PBE-QIDH and SOS1-PBE-QIDH double-hybrid density functionals are merged with a pair of dispersion corrections, namely the pairwise additive D3(BJ) and the non-local correlation functional VV10, leading to the corresponding dispersion-corrected models.