Band gaps of crystalline solids from Wannier-localization–based optimal tuning of a screened range-separated hybrid functional D Wing, G Ohad, JB Haber, MR Filip, SE Gant, JB Neaton, L Kronik
Proceedings of the National Academy of Sciences 118 (34), e2104556118, 2021
66 2021 Optimally tuned starting point for single-shot calculations of solids SE Gant, JB Haber, MR Filip, F Sagredo, D Wing, G Ohad, L Kronik, ...
Physical review materials 6 (5), 053802, 2022
20 2022 Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional G Ohad, D Wing, SE Gant, AV Cohen, JB Haber, F Sagredo, MR Filip, ...
Physical review materials 6 (10), 104606, 2022
11 2022 Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals G Ohad, SE Gant, D Wing, JB Haber, M Camarasa-Gómez, F Sagredo, ...
Physical Review Materials 7 (12), 123803, 2023
1 2023 Non-empirical prediction of the length-dependent ionization potential in molecular chains G Ohad, M Hartstein, T Gould, JB Neaton, L Kronik
arXiv preprint arXiv:2403.18518, 2024
2024 Non-empirical prediction of electronic and optical properties of van der Waals materials from a Wannier-localized Optimally Tuned Screened Range-Separated Hybrid functional M Camarasa Gomez, S Gant, G Ohad, J Neaton, A Ramasubramaniam, ...
Bulletin of the American Physical Society, 2024
2024 Role of localization in optimal tuning: From monomers to polymers. G Ohad, M Hartstein, T Gould, J Neaton, L Kronik
Bulletin of the American Physical Society, 2024
2024 Ab initio GW-Bethe-Salpeter Equation Approach using Optimally Tuned Range-Separated Hybrid Functionals and Non-Uniform Reciprocal Space Sampling S Gant, A Alvertis, G Ohad, M Filip, Z Li, L Kronik, J Neaton
Bulletin of the American Physical Society, 2024
2024 Predicting the color polymorphism of ROY using optimally-tuned screened range-separated hybrid functionals M Hartstein, G Ohad, L Kronik
Bulletin of the American Physical Society, 2024
2024 Automated Workflow for High-Throughput Calculations of Band Gaps with a Wannier-localized Optimally-Tuned Screened Range-Separated Hybrid Functional F Ricci, S Gant, F Sagredo, S Ke, G Ohad, L Kronik, J Neaton
Bulletin of the American Physical Society, 2024
2024 Accurate band gaps and optical spectra of halides and oxides from a non-empirical, localization based optimal tuning of a screened range-separated hybrid functional G Ohad, S Gant, D Wing, J Haber, M Camarasa Gomez, A Cohen, ...
APS March Meeting Abstracts 2023, Q59. 005, 2023
2023 Electron-phonon Renormalization of the Band Gaps of Solids from Wannier-localized Optimally Tuned Screened Range-Separated Hybrid Functionals S Gant, G Ohad, F Ricci, M Camarasa Gomez, J Haber, L Kronik, ...
APS March Meeting Abstracts 2023, G61. 002, 2023
2023 Quasiparticle band structures of halide double perovskites using Wannier-localized optimally tuned screened range separated hybrid functionals F Sagredo, S Gant, G Ohad, J Haber, M Filip, L Kronik, J Neaton
APS March Meeting Abstracts 2023, A17. 008, 2023
2023 Electronic properties of crystalline solids from Wannier-localization-based optimal tuning of a screened range-separated hybrid functional G Ohad, D Wing, M Fillip, A Cohen, J Haber, S Gant, F Sagredo, J Neaton, ...
APS March Meeting Abstracts 2022, G46. 012, 2022
2022 Supplementary information to: Band gaps of crystalline solids from Wannier-localization based optimal tuning of a screened range-separated hybrid functional D Wing, G Ohad, JB Haber, MR Filip, SE Gant, JB Neaton, L Kronik
Proc. Natl. Acad. Sci. USA xxx, xxx, 121-127, 2021
2021 Optimally-Tuned Range-Separated Hybrid Functional Starting Points for One-Shot GW Calculations S Gant, J Haber, D Wing, G Ohad, L Kronik, M Filip, J Neaton
APS March Meeting Abstracts 2021, R22. 010, 2021
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