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20092025
most citedvan der Waals forces in density functional theory: The vdW-DF method

803 citations · 3.1k across the 40 of their papers we have counts for

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Showing 2018Show all

2 papers · 1 filter

cond-mat.mtrl-sci2018★ 6 cited

Optical properties of Cu2ZnSn(SxSe1-x)4 by first-principles calculations

Sergiy Zamulko, Kristian Berland, Clas Persson

Structural, electronic and optical properties of Cu2ZnSn(SxSe1-x)4 semiconductors are studied theoretically for different concentration of S and Se anions. The optical properties a…

cond-mat.mtrl-sci2018★ 19 cited

Thermoelectric transport of GaAs, InP, and PbTe: Hybrid functional with interpolation versus scissor-corrected generalized gradient approximation

Kristian Berland, Clas Persson

Boltzmann transport calculations based on band structures generated with density functional theory (DFT) are often used in the discovery and analysis of thermoelectric materials. I…