Sugisaki Kenji, Sakai Chikako, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji
Department of Chemistry and Molecular Materials Science, Graduate School of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan.
JST PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan.
J Phys Chem Lett. 2021 Nov 18;12(45):11085-11089. doi: 10.1021/acs.jpclett.1c03214. Epub 2021 Nov 8.
A quantum phase estimation algorithm allows us to perform full configuration interaction (full-CI) calculations on quantum computers with polynomial costs against the system size under study, but it requires quantum simulation of the time evolution of the wave function conditional on an ancillary qubit, which makes the algorithm implementation on real quantum devices difficult. Here, we discuss an application of the Bayesian phase difference estimation algorithm that is free from controlled time evolution operations to the full-CI calculations.
量子相位估计算法使我们能够在量子计算机上针对所研究的系统规模以多项式代价执行全组态相互作用（full-CI）计算，但它需要对依赖辅助量子比特的波函数的时间演化进行量子模拟，这使得在实际量子设备上实现该算法变得困难。在此，我们讨论贝叶斯相位差估计算法在全CI计算中的应用，该算法无需受控时间演化操作。
