论文标题
具有虚拟量子子空间扩展的量子计算机上的化学反应
Chemistry on quantum computers with virtual quantum subspace expansion
论文作者
论文摘要
在量子计算机上模拟化学系统的模拟系统以最小的基础仅限于几个电子。我们通过实验证明了虚拟量子子空间扩展[Phys。 Rev. X 10，011004（2020）]可以达到氢和锂二聚体的全基准确性，与需要二十或更多量子的模拟相当。我们开发了一种方法来最大程度地减少实验噪声对广义特征值问题稳定性的影响，这是量子算法的关键组成部分。此外，我们能够在经典计算机上的量子模拟中获得氮二聚体的准确势能曲线。
Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion [Phys. Rev. X 10, 011004 (2020)] can achieve full basis accuracy for hydrogen and lithium dimers, comparable to simulations requiring twenty or more qubits. We developed an approach to minimize the impact of experimental noise on the stability of the generalized eigenvalue problem, a crucial component of the quantum algorithm. In addition, we were able to obtain an accurate potential energy curve for the nitrogen dimer in a quantum simulation on a classical computer.
