SCF Iteration Reduction on SCF-bench QM9-like ID
43Relative Iteration Reduction (1 - RIC)QHFlow (Liu et al. [2025])
Evaluation results
| Method | Links | |
|---|---|---|
| QHFlow (Liu et al. [2025])Theory=PBE/SVP, Δ-Learning=true2026.04 | 43 | |
| QHNet (Liu et al. [2025])Theory=PBE/SVP2026.04 | 37 | |
| aux-coefficients (Liu et al. [2025])Theory=PBE/SVP, Δ-Learning=true2026.04 | 36 | |
| aux-coefficients (Liu et al. [2025])Theory=B3LYP/SVP, Δ-Learning=true, Note=trained on PBE2026.04 | 15 | |
| aux-coefficients (Liu et al. [2025])Theory=SCAN/SVP, Δ-Learning=true, Note=trained on PBE2026.04 | 12 |