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most citedElectron correlation in the Iron(II) Porphyrin by NOF approximations

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physics.chem-ph2026

Electronic Structure Calculations from Occupation Numbers on Quantum Computers

Edison X. Salazar, Juan Felipe Huan Lew-Yee, and Mario Piris

We present a quantum-classical algorithm for electronic structure calculations that dramatically reduces the quantum measurement cost of variational quantum eigensolver (VQE) appro…