Fig. 7: The TB Hamiltonians for 13-AGNR in Slater–Koster form constructed from Variation II.
From: Machine learning method for tight-binding Hamiltonian parameterization from ab-initio band structure
a Comparison of the Hamiltonian elements of the produced TB model in Slater–Koster form and the empirical TB model. b Comparison of the ab-initio band structure (blue lines) and those calculated from the produced TB model (red dashed lines) and empirical TB model (green dashed lines) for 13-AGNR.
