arxiv
PublishedOctober 15, 2026 at 4:00 AM
Beyond DFT electronic band structures via dual-space orbital learning
Publisher summary· verbatim
arXiv:2610.19919v1 Announce Type: new Abstract: Accurate electronic band structures are essential for predicting material properties, but high-fidelity calculations are computationally demanding. We introduce O-kRystal, a dual-space orbital-learning framework that uses a lower-cost Perdew-Burke-Ernz
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Originally published on arxiv ↗