An expander-graph-transformer ansatz yields a linear-scaling non-local XC functional that recovers the H2 dissociation curve in the strongly correlated regime and gives promising results on planar H4.
Completing density functional theory by machine learning hidden messages from molecules.npj Computational Materials, 6(1):43
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Expander attention as exchange-correlation
An expander-graph-transformer ansatz yields a linear-scaling non-local XC functional that recovers the H2 dissociation curve in the strongly correlated regime and gives promising results on planar H4.