Estimating molecular thermal averages with the quantum equation of motion and informationally complete measurements
| Autor: | Morrone, Daniele, Talarico, N. Walter, Cattaneo, Marco, Rossi, Matteo A. C. |
|---|---|
| Rok vydání: | 2024 |
| Předmět: | |
| Zdroj: | Entropy 26, 722 (2024) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.3390/e26090722 |
| Popis: | 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. Comment: 7 pages, 9 figures |
| Databáze: | arXiv |
| Externí odkaz: |
|