SA-NNBF creates fully antisymmetric, spin-symmetric neural wavefunctions via sum-of-products spin eigenfunctions and tensor compression, enabling VMC calculations that outperform standard NNBF and SA-DMRG on systems with over 100 electrons including FeMoco.
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Spin-adapted neural network backflow for strongly correlated electrons
SA-NNBF creates fully antisymmetric, spin-symmetric neural wavefunctions via sum-of-products spin eigenfunctions and tensor compression, enabling VMC calculations that outperform standard NNBF and SA-DMRG on systems with over 100 electrons including FeMoco.