Stochastic GW with the Orthogonalized Projector Augmented Wave Method
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arXiv
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| Hauptverfasser: | , , , , |
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| Format: | Preprint |
| Veröffentlicht: |
2026
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| _version_ | 1866915905135443968 |
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| author | Bazile, Dimitri Nguyen, Minh Kon, Yuji Allen, Tucker Neuhauser, Daniel |
| author_facet | Bazile, Dimitri Nguyen, Minh Kon, Yuji Allen, Tucker Neuhauser, Daniel |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_00522 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Stochastic GW with the Orthogonalized Projector Augmented Wave Method Bazile, Dimitri Nguyen, Minh Kon, Yuji Allen, Tucker Neuhauser, Daniel Chemical Physics 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. |
| title | Stochastic GW with the Orthogonalized Projector Augmented Wave Method |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2604.00522 |