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most citedAccurate ionic forces and geometry optimisation in linear scaling density-functional theory with local orbitals

86 citations · 676 across the 23 of their papers we have counts for

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cond-mat.mtrl-sci2014★ 8 cited

Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: a Wannier interpolation study

Patricia K. Silas, Peter D. Haynes, Jonathan R. Yates

The pressure dependence of the Fermi surface of arsenic is examined using the technique of Wannier interpolation, enabling a dense sampling of the Brillouin zone and the ability to…