Resource-efficient quantum-classical hybrid algorithm for energy gap evaluation

Yang, Yongdan; Li, Ying; Xu, Xiaosi; Yuan, Xiao

doi:10.1103/physreva.109.052416

Phys. Rev. A

2024

DOI: 10.1103/physreva.109.052416

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Resource-efficient quantum-classical hybrid algorithm for energy gap evaluation

Yongdan Yang,

Ying Li,

Xiaosi Xu

et al.

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Projective Measurement-Based Quantum Phase Difference Estimation Algorithm for the Direct Computation of Eigenenergy Differences on a Quantum Computer

Sugisaki

2023

J. Chem. Theory Comput.

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Quantum computers are capable of calculating the energy difference of two electronic states using the quantum phase difference estimation (QPDE) algorithm. The Bayesian inferencebased implementations for the QPDE have been reported so far, but in this approach, the quality of the calculated energy difference depends on the input wave functions being used. Here, we report the inverse quantum Fourier transformation-based QPDE with N a of ancillary qubits, which allows us to compute the difference of eigenenergies based on the single-shot projective measurement. As proof-of-concept demonstrations, we report numerical experiments for the singlet−triplet energy difference of the hydrogen molecule and the vertical excitation energies of halogen-substituted methylenes (CHF, CHCl, CF 2 , CFCl, and CCl 2 ) and formaldehyde (HCHO).

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Projective Measurement-Based Quantum Phase Difference Estimation Algorithm for the Direct Computation of Eigenenergy Differences on a Quantum Computer

Sugisaki

2023

J. Chem. Theory Comput.

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Resource-efficient quantum-classical hybrid algorithm for energy gap evaluation

Cited by 1 publication

References 44 publications

Projective Measurement-Based Quantum Phase Difference Estimation Algorithm for the Direct Computation of Eigenenergy Differences on a Quantum Computer

Projective Measurement-Based Quantum Phase Difference Estimation Algorithm for the Direct Computation of Eigenenergy Differences on a Quantum Computer

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