Basis-free neural-network geminal and Jastrow factors inside an AGP ansatz achieve sub-millihartree accuracy for H2 and rectangular H4 in VMC while exposing nodal errors at square H4 geometry.
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Geometry-driven finite gap in graphene stabilizes RVB pairing at 0.48(1) mHa/atom per DMC, absent in zero-gap configurations.
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Basis-free neural-network geminal and Jastrow factors for variational Monte Carlo
Basis-free neural-network geminal and Jastrow factors inside an AGP ansatz achieve sub-millihartree accuracy for H2 and rectangular H4 in VMC while exposing nodal errors at square H4 geometry.
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Resonating valence bond pairing energy in graphene by quantum Monte Carlo
Geometry-driven finite gap in graphene stabilizes RVB pairing at 0.48(1) mHa/atom per DMC, absent in zero-gap configurations.