414 citations · 586 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2011★ 172 cited
Linear density response function in the projector-augmented wave method: Applications to solids, surfaces, and interfaces
Jun Yan, Jens. J. Mortensen, Karsten W. Jacobsen +1
We present an implementation of the linear density response function within the projector-augmented wave (PAW) method with applications to the linear optical and dielectric propert…
cond-mat.mtrl-sci2011
Ab initio van der Waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like
Andreas Møgelhøj, André Kelkkanen, K. Thor Wikfeldt +7
The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new e…