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Density Optimization on QMugs

6.8Density Error (L2 Norm)STRUCTURES25
6.5927.9969.410.804Apr 22, 2026

Evaluation results

MethodLinks
STRUCTURES25Avoids O(N³) orthonormalization=No2026.046.840
M-OFDFTAvoids O(N³) orthonormalization=No2026.047319
Surrogate Functional (natrep)Avoids O(N³) orthonormalization=No2026.048.220
Surrogate Functional (no-natrep)Avoids O(N³) orthonormalization=Yes2026.041221