An RBM-guided selected-CI solver inside DMET reaches the DMET-CASCI energy within 1.6 mHa using ~4% of the symmetry-valid configuration subspace on an 11-fragment protein–ligand model.
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Machine-Learned Compact Subspace Generation for Quantum Selected Configuration Interaction within Density Matrix Embedding Framework
An RBM-guided selected-CI solver inside DMET reaches the DMET-CASCI energy within 1.6 mHa using ~4% of the symmetry-valid configuration subspace on an 11-fragment protein–ligand model.