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Abstract Interacting many-electron problems pose some of the greatest computational challenges in science, with essential applications across many fields. The solutions to these problems will offer accurate predictions of chemical reactivity and kinetics, and other properties of quantum systems 1–4 . Fermionic quantum Monte Carlo (QMC) methods 5,6 , which use a statistical sampling of the ground state, are among the most powerful approaches to these problems. Controlling the fermionic sign problem with constraints ensures the efficiency of QMC at the expense of potentially significant biases owing to the limited flexibility of classical computation. Here we propose an approach that combines constrained QMC with quantum computation to reduce such biases. We implement our scheme experimentally using up to 16 qubits to unbias constrained QMC calculations performed on chemical systems with as many as 120 orbitals. These experiments represent the largest chemistry simulations performed with the help of quantum computers, while achieving accuracy that is competitive with state-of-the-art classical methods without burdensome error mitigation. Compared with the popular variational quantum eigensolver 7,8 , our hybrid quantum-classical computational model offers an alternative path towards achieving a practical quantum advantage for the electronic structure problem without demanding exceedingly accurate preparation and measurement of the ground-state wavefunction.
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Quantum benefit of the quantum equation of motion for the strongly coupled many-body problem
We investigate the quantum equation of motion (qEOM), a hybrid quantum-classical algorithm for computing excitation properties of a fermionic many-body system, with a particular emphasis on the strong-coupling regime. The method is designed as a stepping stone towards building more accurate solutions for strongly coupled fermionic systems, such as medium-heavy nuclei, using quantum algorithms to surpass the current barrier in classical computation. Approximations of increasing accuracy to the exact solution of the Lipkin-Meshkov-Glick Hamiltonian with 𝑁=8 particles are studied on digital simulators and IBM quantum devices. Improved accuracy is achieved by applying operators of growing complexity to generate excitations above the correlated ground state, which is determined by the variational quantum eigensolver. We demonstrate explicitly that the qEOM exhibits a quantum benefit due to the independence of the number of required quantum measurements from the configuration complexity. Postprocessing examination shows that quantum device errors are amplified by increasing configuration complexity and coupling strength. A detailed error analysis is presented, and error mitigation based on zero noise extrapolation is implemented.
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- PAR ID:
- 10512281
- Editor(s):
- na
- Publisher / Repository:
- American Physical Society
- Date Published:
- Journal Name:
- Physical Review C
- Edition / Version:
- 1
- Volume:
- 109
- Issue:
- 1
- ISSN:
- 2469-9985
- Page Range / eLocation ID:
- 1-16
- Subject(s) / Keyword(s):
- Quantum equation of motion, quantum computing, Lipkin model
- Format(s):
- Medium: X Size: 2.6MB Other: pdf
- Size(s):
- 2.6MB
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript
- Journal Article:
- https://doi.org/10.1103/PhysRevC.109.014306
