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

Abstract

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.