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most citedMolecular Structure Optimization based on Electrons-Nuclei Quantum Dynamics Computation

12 citations · 25 across the 7 of their papers we have counts for

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physics.chem-ph2025★ 1 cited

Enhancing Accuracy of Quantum-Selected Configuration Interaction Calculations using Multireference Perturbation Theory: Application to Aromatic Molecules

Soichi Shirai, Shih-Yen Tseng, Hokuto Iwakiri +3

Quantum-selected configuration interaction (QSCI) is a novel quantum-classical hybrid algorithm for quantum chemistry calculations. This method identifies electron configurations h…