Quantum computed moments method on IBM hardware estimates water dipole moment to 0.03 debye of FCI, outperforming VQE by factor of two in error.
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New low-bond MPO construction, entanglement-aware MPS optimization, and Gutzwiller parameter tuning enable transcorrelated DMRG on 12x12 lattices, cutting ground-state energy errors by 3x to 17x versus standard DMRG at equal effort.
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Moments-based quantum computation of the electric dipole moment of molecular systems
Quantum computed moments method on IBM hardware estimates water dipole moment to 0.03 debye of FCI, outperforming VQE by factor of two in error.
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Scaling up the transcorrelated density matrix renormalization group
New low-bond MPO construction, entanglement-aware MPS optimization, and Gutzwiller parameter tuning enable transcorrelated DMRG on 12x12 lattices, cutting ground-state energy errors by 3x to 17x versus standard DMRG at equal effort.