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Figure 6. Architectures of SOTA DHNN models. (A) DeepH-E3, An E(3)-equivariant neural network representation of DFT
Hamiltonian [67] ; (B) HamGNN, a data-driven E(3) equivariant GNN for the electronic Hamiltonian matrix [77] ; (C) DeePTB-E3, a novel
deep learning model for predicting multiple quantum operators [73] . SOTA: State-of-the-art; DHNN: deep Hamiltonian neural network;
DFT: density functional theory; GNN: graph neural network.
