Quantum computation for periodic solids in second quantization

نویسندگان

چکیده

In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected computers. The is based the sparse qubitization approach in second quantization and developed Bloch Wannier basis sets. We show that functions require less computational resources with respect to because: (i) L$_1$ norm Hamiltonian considerably lower (ii) translational symmetry can be exploited order reduce amount classical data must loaded into computer. resource requirements are estimated such as NiO PdO. These transition metal oxides industrially relevant their catalytic properties. find estimation Hamiltonians approximated using 200--900 spin orbitals requires {\it ca.}~$10{}^{10}$--$10^{12}$ T gates up $3\cdot10^8$ physical qubits error rate $0.1\%$.

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ژورنال

عنوان ژورنال: Physical review research

سال: 2023

ISSN: ['2643-1564']

DOI: https://doi.org/10.1103/physrevresearch.5.013200