Physics – Chemical Physics
Scientist
Physics
Chemical Physics
Scientist
Chemical accuracy for the van der Waals density functional
Coupled cluster benchmarks of water monomers and dimers extracted from DFT liquid water: the importance of monomer deformations
Experimental and theoretical study of oxygen adsorption structures on Ag(111)
On how good DFT exchange-correlation functionals are for H bonds in small water clusters: Benchmarks approaching the complete basis set limit
On the accuracy of DFT exchange-correlation functionals for H bonds in small water clusters II: The water hexamer and van der Waals interactions
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