Truncation technique for variational quantum eigensolver for Molecular Hamiltonians

• URL: http://arxiv.org/abs/2402.01630v2
• Date: Thu, 15 Feb 2024 00:59:28 GMT
• Title: Truncation technique for variational quantum eigensolver for Molecular Hamiltonians
• Authors: Qidong Xu, Kanav Setia
• Abstract summary: variational quantum eigensolver (VQE) is one of the most promising quantum algorithms for noisy quantum devices. We propose a physically intuitive truncation technique that starts the optimization procedure with a truncated Hamiltonian. This strategy allows us to reduce the required number of evaluations for the expectation value of Hamiltonian on a quantum computer.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: The variational quantum eigensolver (VQE) is one of the most promising quantum algorithms for the near-term noisy intermediate-scale quantum (NISQ) devices. The VQE typically involves finding the minimum energy of a quantum Hamiltonian through classical optimization of a parametrized quantum ansatz. One of the bottlenecks in VQEs is the number of quantum circuits to be measured. In this work, we propose a physically intuitive truncation technique that starts the optimization procedure with a truncated Hamiltonian and then gradually transitions to the optimization for the original Hamiltonian via an operator classification method. This strategy allows us to reduce the required number of evaluations for the expectation value of Hamiltonian on a quantum computer. The reduction in required quantum resources for our strategy is substantial and likely scales with the system size. With numerical simulations, we demonstrate our method for various molecular systems.

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