Note: The performance of new density functionals for a recent blind test of non-covalent interactions

Benchmark datasets of non-covalent interactions are essential for assessing the performance of density functionals and other quantum chemistry approaches. In a recent blind test, Taylor et al. benchmarked 14 methods on a new dataset consisting of 10 dimer potential energy curves calculated using cou...

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Veröffentlicht in:	The Journal of chemical physics 2016-11, Vol.145 (18), p.186101-186101
Hauptverfasser:	Mardirossian, Narbe, Head-Gordon, Martin
Format:	Artikel
Sprache:	eng
Schlagworte:	Basis sets Correlation functions Ethanol Exchange correlation functionals Functionals INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Potential energy surfaces
Online-Zugang:	Volltext
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