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Jinbo Huo

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Jul 2026

GTAttn-XC: Physically constrained attention for nonlocal density functionals.

A novel exchange-correlation functional approximation model-GTAttn-XC is proposed, which introduces a learnable attention mechanism to enable unsupervised modeling of long-range electronic responses and establishes a new technical pathway toward high-accuracy nonlocal exchange-correlation approximations.

Xin Wang, Jianzhou Feng, Hao Zhang et al. · 0 citations