References mentioned:
- Chen and Ortner (2016) - Combes-Thomas estimates
- Chen, Lu, and Ortner (2018) - thermodynamic limit
- Ortner, Thomas, and Chen (2020) - improved results for insulators
- Thomas (2020) - self-consistent tight-binding models
- Thomas, Chen, and Ortner (2022) - body-ordered approximations
- Xie, Persson, and Small (2020) - “XPS”
References
Chen, Huajie, Jianfeng Lu, and Christoph Ortner. 2018. “Thermodynamic Limit of Crystal Defects with Finite Temperature Tight Binding.” Arch. Ration. Mech. Anal. 230: 701–33. https://doi.org/10.1007/s00205-018-1256-y.
Chen, Huajie, and Christoph Ortner. 2016. “QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model.” Multiscale Model. Simul. 14 (1): 232–64. https://doi.org/10.1137/15M1022628.
Ortner, Christoph, Jack Thomas, and Huajie Chen. 2020. “Locality of Interatomic Forces in Tight Binding Models for Insulators.” ESAIM Math. Model. Numer. Anal. 54 (6): 2295–2318. https://doi.org/10.1051/m2an/2020020.
Thomas, Jack. 2020. “Locality of Interatomic Interactions in Self-Consistent Tight Binding Models.” J. Nonlinear Sci. 30 (6): 3293–3319. https://doi.org/10.1007/s00332-020-09651-8.
Thomas, Jack, Will Baldwin, Gabor Csanyi, and Christoph Ortner. 2025. “Self-Consistent Coulomb Interactions for Machine Learning Interatomic Potentials.” Nonlinearity 38 (9): 095024. https://doi.org/10.1088/1361-6544/ae0402.
Thomas, Jack, Huajie Chen, and Christoph Ortner. 2022. “Body-Ordered Approximations of Atomic Properties.” Arch. Rat. Mech. Anal. 246 (1): 1–60. https://doi.org/10.1007/s00205-022-01809-w.
Xie, Xiaowei, Kristin A. Persson, and David W. Small. 2020. “Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations.” J. Chem. Theory Comput. 16 (7): 4256–70. https://doi.org/10.1021/acs.jctc.0c00217.