A key starting assumption in many classical interatomic potential models for materials is a site energy decomposition of the potential energy surface into contributions that only depend on a small neighbourhood. Under a natural stability condition, we construct such a spatial decomposition for self-consistent tight binding models, extending recent results for linear tight binding models to the nonlinear setting.

中文翻译：

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自洽紧密结合模型中原子间相互作用的局部性

在许多材料的经典原子间势模型中，一个关键的起始假设是势能表面的位能分解为仅依赖于一个小邻域的贡献。在自然稳定性条件下，我们为自洽的紧密绑定模型构造了这种空间分解，将线性紧密绑定模型的最新结果扩展到非线性设置。