most citedUsing ONETEP for accurate and efficient O(N) density functional calculations

46 citations · 46 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2005★ 46 cited

Using ONETEP for accurate and efficient O(N) density functional calculations

Chris-Kriton Skylaris, Peter D. Haynes, Arash A. Mostofi +1

We present a detailed comparison between ONETEP, our linear-scaling density functional method, and the conventional pseudopotential plane wave approach in order to demonstrate its…