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arxiv: 2605.03981 · 3 revisions

Selecting optimal unrestricted Hartree-Fock trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo: Accuracy and limitations in modeling three iron-sulfur clusters

1. 2026-05-07 CONDITIONAL LOW v0.9.0 novelty 5.0
   49173 ms 5616 in 1568 out 2026-05-07T12:40:28.614019+00:00
2. 2026-05-07 UNVERDICTED LOW v0.9.0 novelty 5.0
   41737 ms 5594 in 1147 out 2026-05-07T00:20:54.652579+00:00
3. 2026-05-07 UNVERDICTED LOW v0.9.0 novelty 4.0
   32487 ms 5594 in 1104 out 2026-05-07T00:20:45.368033+00:00