most citedNonlocal Pseudopotential Energy Density Functional for Orbital-Free Density Functional Theory

39 citations · 39 across the 1 of their papers we have counts for

collaborators

1 paper

cond-mat.mtrl-sci2022★ 39 cited

Nonlocal Pseudopotential Energy Density Functional for Orbital-Free Density Functional Theory

Qiang Xu, Cheng Ma, Wenhui Mi +2

Orbital-free density functional theory (OF-DFT) runs at low computational cost that scales linearly with the number of simulated atoms, making it suitable for large-scale material…