Stochastic GW with the Orthogonalized Projector Augmented Wave Method
Chemical Physics
2026-04-02 v1
Abstract
We introduce stochastic GW with the orthogonalized projector augmented-wave method (OPAW-sGW). This implementation enables accurate quasiparticle band gaps on significantly coarser real-space grids than norm-conserving pseudopotential sGW (NCPP-sGW). The orthogonalized PAW representation preserves the formal all-electron character and enables stochastic sampling of the Green's function and screened Coulomb interaction.
Cite
@article{arxiv.2604.00522,
title = {Stochastic GW with the Orthogonalized Projector Augmented Wave Method},
author = {Dimitri Bazile and Minh Nguyen and Yuji Kon and Tucker Allen and Daniel Neuhauser},
journal= {arXiv preprint arXiv:2604.00522},
year = {2026}
}
Comments
22 pages, 4 figures