34 citations · 119 across the 36 of their papers we have counts for
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math-ph2019★ 8 cited
Locality of Interatomic Forces in Tight Binding Models for Insulators
Christoph Ortner, Jack Thomas, Huajie Chen
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…
math.NA2019★ 4 cited
A discontinuous Galerkin scheme for full-potential electronic structure calculations
Xiaoxu Li, Huajie Chen
In this paper, we construct an efficient numerical scheme for full-potential electronic structure calculations of periodic systems. In this scheme, the computational domain is deco…