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cond-mat.mtrl-sci2012★ 173 cited
Are we van der Waals ready?
T. Björkman, A. Gulans, A. V. Krasheninnikov +1
We apply a range of density-functional-theory-based methods capable of describing van der Waals interactions to weakly bonded layered solids in order to investigate their accuracy…
cond-mat.mtrl-sci2012★ 1.2k cited
Van der Waals bonding in layered compounds from advanced first-principles calculations
T. Björkman, A. Gulans, A. V. Krasheninnikov +1
Although the precise microscopic knowledge of van der Waals interactions is crucial for understanding bonding in weakly bonded layered compounds, very little quantitative informati…