most citedLattice Dynamics Calculations based on Density-functional Perturbation Theory in Real Space

68 citations · 71 across the 3 of their papers we have counts for

collaborators
Showing physics.comp-phShow all

1 paper · 1 filter

physics.comp-ph2023★ 1 cited

Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models

Daniel T. Speckhard, Christian Carbogno, Luca Ghiringhelli +3

The numerical precision of density-functional-theory (DFT) calculations depends on a variety of computational parameters, one of the most critical being the basis-set size. The ult…