AI RESEARCH
M\=oLe-{\Lambda}: Learning the Coupled-Cluster Response State for Energies, Gradients, and Properties
arXiv CS.LG
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ArXi:2605.29622v1 Announce Type: new Coupled-cluster (CC) theory is often considered the gold standard of quantum chemistry, but its high computational cost limits routine access to accurate energies, forces and response properties. While the right-hand $T$-amplitudes determine the correlated wavefunction, many practically important observables additionally require the left-hand $\Lambda$-amplitudes. We