ADAPT-QSCI: Adaptive Construction of Input State for Quantum-Selected Configuration Interaction

• URL: http://arxiv.org/abs/2311.01105v1
• Date: Thu, 2 Nov 2023 09:15:50 GMT
• Title: ADAPT-QSCI: Adaptive Construction of Input State for Quantum-Selected Configuration Interaction
• Authors: Yuya O. Nakagawa, Masahiko Kamoshita, Wataru Mizukami, Shotaro Sudo, and Yu-ya Ohnishi
• Abstract summary: We present a quantum-classical hybrid algorithm for calculating the ground state and its energy of the quantum many-body Hamiltonian. We numerically illustrate that our method, dubbed textitADAPT-QSCI, can yield accurate ground-state energies for small molecules.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: We present a quantum-classical hybrid algorithm for calculating the ground state and its energy of the quantum many-body Hamiltonian by proposing an adaptive construction of a quantum state for the quantum-selected configuration interaction (QSCI) method. QSCI allows us to select important electronic configurations in the system to perform CI calculation (subspace diagonalization of the Hamiltonian) by sampling measurement for a proper input quantum state on a quantum computer, but how we prepare a desirable input state has remained a challenge. We propose an adaptive construction of the input state for QSCI in which we run QSCI repeatedly to grow the input state iteratively. We numerically illustrate that our method, dubbed \textit{ADAPT-QSCI}, can yield accurate ground-state energies for small molecules, including a noisy situation for eight qubits where error rates of two-qubit gates and the measurement are both as large as 1\%. ADAPT-QSCI serves as a promising method to take advantage of current noisy quantum devices and pushes forward its application to quantum chemistry.

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