QC-AFQMC per-step scaling reduced from O(N^5.5) to O(N^4.5) via Aitken's block transformation for singular Pfaffians and algorithmic differentiation for force bias, with demonstrations on H8 from real quantum data and Li2O4.
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A QSCI variant using stochastic quantum time evolution selects compact configuration subspaces for SiH4 energies, achieving over 200x reduction versus conventional SCI at large separations while matching Heatbath CI compactness.
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Quantum-Classical Auxiliary-Field Quantum Monte Carlo at the Edge of Practicability
QC-AFQMC per-step scaling reduced from O(N^5.5) to O(N^4.5) via Aitken's block transformation for singular Pfaffians and algorithmic differentiation for force bias, with demonstrations on H8 from real quantum data and Li2O4.
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Towards Compact Wavefunctions from Quantum-Selected Configuration Interaction
A QSCI variant using stochastic quantum time evolution selects compact configuration subspaces for SiH4 energies, achieving over 200x reduction versus conventional SCI at large separations while matching Heatbath CI compactness.