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arXiv · 2604.00522

Stochastic GW with the Orthogonalized Projector Augmented Wave Method

Dimitri Bazile·Minh Nguyen·Yuji Kon·Tucker Allen·Daniel Neuhauser
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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.

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Dimitri Bazile, Minh Nguyen, Yuji Kon, Tucker Allen, Daniel Neuhauser. 2026-04-01. Stochastic GW with the Orthogonalized Projector Augmented Wave Method. https://arxiv.org/abs/2604.00522

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