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.
Sutherland, and Ali Kemal Sinop
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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.