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SCF iteration reduction on SCF-bench QM9-like OOD-L
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80
Relative Iteration Reduction (1 - RIC)
QHNet (Liu et al. [2025])
11.36
29.18
47
64.82
Apr 23, 2026
Relative Iteration Reduction (1 - RIC)
Updated 3mo ago
Evaluation Results
Method
Method
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Relative Iteration Reduction (1 - RIC)
QHNet (Liu et al. [2025])
Theory=PBE/SVP
2026.04
80
QHFlow (Liu et al. [2025])
Theory=PBE/SVP, Δ-Lear...
2026.04
47
aux-coefficients (Liu et al. [2025])
Theory=PBE/SVP, Δ-Lear...
2026.04
33
aux-coefficients (Liu et al. [2025])
Theory=B3LYP/SVP, Δ-Le...
2026.04
16
aux-coefficients (Liu et al. [2025])
Theory=SCAN/SVP, Δ-Lea...
2026.04
14
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