The first implementation of density matrix embedding theory with sample-based quantum diagonalization is demonstrated on quantum hardware for an 18-hydrogen ring and cyclohexane, yielding energies close to classical reference methods.
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Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory
The first implementation of density matrix embedding theory with sample-based quantum diagonalization is demonstrated on quantum hardware for an 18-hydrogen ring and cyclohexane, yielding energies close to classical reference methods.