2 citations · 2 across the 1 of their papers we have counts for
3 papers
math-ph2020★ 2 cited
Locality of Interatomic Interactions in Self-Consistent Tight Binding Models
Jack Thomas
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 d…
math-ph2020
Point Defects in Tight Binding Models for Insulators
Christoph Ortner, Jack Thomas
We consider atomistic geometry relaxation in the context of linear tight binding models for point defects. A limiting model as Fermi-temperature is sent to zero is formulated, and…
math-ph2019
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…