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Periodic Symmetry-Adapted Encoding: Qubit Reduction in Crystalline Electronic Structure

Picozzi, Dario
arXiv (All) · Papers
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quantum-physics
We introduce periodic symmetry-adapted encoding (SAE) for qubit-efficient simulations of crystalline materials, extending the molecular SAE framework developed in earlier work to periodic systems. The method constructs a Gamma-point supercell active-space Hamiltonian from k-point Hartree-Fock data a
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