Physics – Condensed Matter – Materials Science
Scientist
Physics
Condensed Matter
Materials Science
Scientist
Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
On the accuracy of DFT exchange-correlation functionals for H bonds in small water clusters II: The water hexamer and van der Waals interactions
Pseudopotential study of binding properties of solids within generalized gradient approximations: The role of core-valence exchange-correlation
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