SAE-CAS reduces qubit requirements for quantum chemistry by extending symmetry-adapted mappings to frozen-core and virtual orbitals, integrates with Bravyi-Kitaev and point-group symmetries, and shows improved VQE performance on nine small molecules.
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Symmetry-adapted qubit encoding with complete active space and Bravyi--Kitaev mapping for quantum chemistry on a quantum computer
SAE-CAS reduces qubit requirements for quantum chemistry by extending symmetry-adapted mappings to frozen-core and virtual orbitals, integrates with Bravyi-Kitaev and point-group symmetries, and shows improved VQE performance on nine small molecules.