2 papers
physics.chem-ph2026
Efficient Deterministic-Stochastic Representation of the Coulomb Operator in Real Space
Nafiz Faiaz, Tucker Allen, Dimitri Bazile +2
We present an efficient mixed deterministic-stochastic approach for constructing the Coulomb operator in real space that preserves accuracy across the full spectral range. The domi…
cond-mat.mtrl-sci2025
Efficient plane-wave approach to generalized Kohn-Sham density-functional theory of solids with mixed deterministic/stochastic exchange
Tucker Allen, Barry Y. Li, Tim Duong +2
An efficient mixed deterministic/sparse-stochastic plane-wave approach is developed for bandstructure calculations of large supercell periodic generalized-Kohn-Sham density functio…