Abstract
The tight binding model is a minimalistic electronic structure model for predicting properties of materials and molecules. For insulators at zero Fermi-temperature we show that the potential energy surface of this model can be decomposed into exponentially localised site energy contributions, thus providing qualitatively sharp estimates on the interatomic interaction range which justifies a range of multi-scale models. For insulators at finite Fermi-temperature we obtain locality estimates that are uniform in the zero-temperature limit. A particular feature of all our results is that they depend only weakly on the point spectrum. Numerical tests confirm our analytical results. This work extends Chen and Ortner [Multiscale Model. Simul. 14 (2016) 232–264] and Chen et al. [Arch. Ration. Mech. Anal. 230 (2018) 701–733] to the case of zero Fermi-temperature as well as strengthening the results proved therein.
Subject
Applied Mathematics,Modeling and Simulation,Numerical Analysis,Analysis,Computational Mathematics
Cited by
4 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献