论文标题
使用减少错误的$ n $表述条件来计算Mott Metal-Metal-Metal-Metal-Metal-Metal-Methimulator Transition，
Quantum-classical hybrid algorithm using an error-mitigating $N$-representability condition to compute the Mott metal-insulator transition
论文作者
论文摘要
分子电子结构的量子算法的计算缩放量比其经典算法较低，但是新兴的量子硬件远非能够具有实验实现所需的相干，连通性和门错误。在这里，我们提出了一类量子杂种算法，该算法从两电子降低密度矩阵（2-RDM）中计算能量。 2-RDM受$ n $表述条件的约束，表示代表$ n $ - 电子波函数的条件，从而减轻了量子电路的噪声。我们将Doublet H $ _ {3} $的密切相关的分离分解为三个氢原子。杂交量子经典计算机匹配从完整构型相互作用到0.1 kcal/mol的能量，即使在分离的极限限制下，也是“化学精度”的十分之一。此外，计算出的单电子RDM的空间位置表明，量子计算机准确地预测了Mott Metal-Metal-undulator跃迁。
Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence,connectivity and gate errors required for their experimental realization. Here we propose a class of quantum-classical hybrid algorithms that compute the energy from a two-electron reduced density matrix (2-RDM). The 2-RDM is constrained by $N$-representability conditions, conditions for representing an $N$-electron wavefunction, that mitigates noise from the quantum circuit. We compute the strongly correlated dissociation of doublet H$_{3}$ into three hydrogen atoms. The hybrid quantum-classical computer matches the energies from full configuration interaction to 0.1 kcal/mol, one-tenth of "chemical accuracy," even in the strongly correlated limit of dissociation. Furthermore, the spatial locality of the computed one-electron RDM reveals that the quantum computer accurately predicts the Mott metal-insulator transition.
