Demonstration of the Effectiveness of the Cascaded Variational Quantum Eigensolver Using the Jastrow Ansatz for Molecular Calculations

We demonstrate how the cascaded variational quantum eigensolver (CVQE) can be applied to study molecular systems for the family of Jastrow ansatzes. Specifically, we applied CVQE to the water molecule. We find that CVQE has a number of advantages. In particular, our results show that CVQE requires 2...

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Bibliographic Details
Published in:ACS omega 2024-05, Vol.9 (19), p.21353-21364
Main Authors: Stenger, John P. T., Hellberg, C. Stephen, Gunlycke, Daniel
Format: Article
Language:English
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Summary:We demonstrate how the cascaded variational quantum eigensolver (CVQE) can be applied to study molecular systems for the family of Jastrow ansatzes. Specifically, we applied CVQE to the water molecule. We find that CVQE has a number of advantages. In particular, our results show that CVQE requires 2 to 3 orders of magnitude fewer quantum computing (QC) executions than VQE for the water molecule. Furthermore, our results indicate that CVQE might provide some robustness against two-qubit gate errors given that the number of CNOT gates used in our calculation was ∼300 and the errors in the QC calculations are still comparable to those obtained by VQE.
ISSN:2470-1343
2470-1343
DOI:10.1021/acsomega.4c01642