Hybrid quantum sampling with USCI ansatz and transformer network reaches chemical accuracy for 40-qubit [2Fe-2S] and 12 mHartree agreement with DMRG for nitrogenase P-cluster.
This system is large enough to exhibit a nontrivial determinant distribution, yet small enough that full configuration interaction (FCI) remains available as an exact benchmark
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Transformer refined quantum sampling for strongly correlated electronic structure
Hybrid quantum sampling with USCI ansatz and transformer network reaches chemical accuracy for 40-qubit [2Fe-2S] and 12 mHartree agreement with DMRG for nitrogenase P-cluster.