A DFT-embedded quantum-selected configuration interaction framework combines quantum and classical methods to achieve ~1 kcal/mol accuracy on large-scale chemical systems using a subset of qubits from a 144-qubit quantum computer.
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Quantum computing for accurate large-scale electronic-structure calculations: DFT-embedded, post-processed quantum-selected configuration interaction
A DFT-embedded quantum-selected configuration interaction framework combines quantum and classical methods to achieve ~1 kcal/mol accuracy on large-scale chemical systems using a subset of qubits from a 144-qubit quantum computer.