论文标题
量子计算化学的有效量子电路
Efficient quantum circuits for quantum computational chemistry
论文作者
论文摘要
具有变异量子本质量(VQE)的分子量子模拟依赖于近似分子基态的ANSATZ。这些ANSATZ状态通常由参数化的费米子激发算子和初始参考状态定义。进行费米子激发的有效方法对于在嘈杂的中间量子计算机上实现VQE至关重要。在这里,我们首先证明执行量子激发的电路,不考虑费米子的反通信关系的激发。然后,我们扩展了这些电路的功能以执行费米子激发。与标准使用“ $ cnot $楼梯”构建的电路相比,我们的电路可减少$ cnot $门的线性减少,分别每次和双重激发的$ 2 $和$ 8 $。我们的结果减少了对量子分子模拟的近期实现的要求。
Molecular quantum simulations with the variational quantum eigensolver (VQE) rely on ansatz states that approximate the molecular ground states. These ansatz states are generally defined by parametrized fermionic excitation operators and an initial reference state. Efficient ways to perform fermionic excitations are vital for the realization of the VQE on noisy intermediate-scale quantum computers. Here, we address this issue by first demonstrating circuits that perform qubit excitations, excitations that do not account for fermionic anticommutation relations. We then extend the functionality of these circuits to perform fermionic excitations. Compared to circuits constructed with the standard use of "$CNOT$ staircases", our circuits offer a linear reduction in the number of $CNOT$ gates, by a factor of $2$ and $8$ per single and double excitation, respectively. Our results reduce the requirements for near-term realizations of quantum molecular simulations.