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.
Machine learning accurate exchange and correla- tion functionals of the electronic density.Nature Communications 2020 11:1, 11(1):1–10, 7 2020
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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.