Đã lưu trong:
| Những tác giả chính: | , , , |
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| Định dạng: | Preprint |
| Được phát hành: |
2024
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| Những chủ đề: | |
| Truy cập trực tuyến: | https://arxiv.org/abs/2406.04475 |
| Các nhãn: |
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Mục lục:
- By leveraging the Variational Quantum Eigensolver (VQE), the ``quantum equation of motion" (qEOM) method established itself as a promising tool for quantum chemistry on near term quantum computers, and has been used extensively to estimate molecular excited states. Here, we explore a novel application of this method, employing it to compute thermal averages of quantum systems, specifically molecules like ethylene and butadiene. A drawback of qEOM is that it requires measuring the expectation values of a large number of observables on the ground state of the system, and the number of necessary measurements can become a bottleneck of the method. In this work we focus on measurements through informationally complete positive operator-valued measures (IC-POVMs) to achieve a reduction in the measurements overheads. We show with numerical simulations that the qEOM combined with IC-POVM measurements ensures a satisfactory accuracy in the reconstruction of the thermal state with a reasonable number of shots.