论文标题
通过量子算法计算Moscovium地面能量
Calculation of the moscovium ground-state energy by quantum algorithms
论文作者
论文摘要
我们研究了在量子计算机上计算原子系统基础能量的可能性。为此，我们通过使用迭代相估计和变异量子本质量来评估Moscovium原子的最低结合能。通过分离的统一耦合群集ANSATZ和各种类型的硬件有效的ANSATZE进行分离的统一耦合簇ANSATZE，通过变异量子本质量进行计算。通过使用亚当和量子自然梯度程序进行优化。通过增加基集的大小和活动电子的数量来测试Ansatze和优化器的可伸缩性。还估计了迭代相估计和变异量子量化所需的门数。
We investigate the possibility to calculate the ground-state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and variational quantum eigensolver. The calculations by the variational quantum eigensolver are performed with a disentangled unitary coupled cluster ansatz and with various types of hardware-efficient ansatze. The optimization is performed with the use of the Adam and Quantum Natural Gradients procedures. The scalability of the ansatze and optimizers is tested by increasing the size of the basis set and the number of active electrons. The number of gates required for the iterative phase estimation and variational quantum eigensolver is also estimated.
