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    Quantum Simulation of Resonant Transitions for Solving the Eigenproblem of an Effective Water Hamiltonian

    Zhaokai Li1,2,3,*, Xiaomei Liu1,2,3,*, Hefeng Wang4,†, Sahel Ashhab5, Jiangyu Cui1,2,3, Hongwei Chen6, Xinhua Peng1,2,3,‡, and Jiangfeng Du1,2,3,§

    • 1Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China (USTC), Hefei 230026, China
    • 2CAS Key Laboratory of Microscale Magnetic Resonance, USTC, Hefei 230026, China
    • 3Synergetic Innovation Center of Quantum Information and Quantum Physics, USTC, Hefei 230026, China
    • 4Department of Applied Physics, School of Science, Xi’an Jiaotong University and Shaanxi Province Key Laboratory of Quantum Information and Quantum Optoelectronic Devices, Xi’an, 710049, China
    • 5Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, Doha, Qatar
    • 6High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031, China

    • *These authors contributed equally to this work.
    • †wanghf@mail.xjtu.edu.cn
    • ‡xhpeng@ustc.edu.cn
    • §djf@ustc.edu.cn
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    Phys. Rev. Lett. 122, 090504 – Published 8 March, 2019

    DOI: https://doi.org/10.1103/PhysRevLett.122.090504

    Abstract

    It is difficult to calculate the energy levels and eigenstates of a large physical system on a classical computer because of the exponentially growing size of the Hilbert space. In this work, we experimentally demonstrate a quantum algorithm which could solve this problem via simulated resonant transitions. Using a four-qubit quantum simulator in which two qubits are used as ancillas for control and measurement, we obtain the energy spectrum of a 2-qubit low-energy effective Hamiltonian of the water molecule. The simulated transitions allow the state of the quantum simulator to transform and access large regions of the Hilbert space, including states that have no overlap with the initial state. Furthermore, we make use of this algorithm to efficiently prepare specific eigenstates on the simulator according to the measured eigenenergies.

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    Phys. Rev. Lett. 122, 090504– Published 8 March, 2019
    • Received 16 April 2018
    • Revised 4 February 2019
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