论文标题
分子电偶极矩：使用相对论VQE算法从光到重分子
Molecular electric dipole moments: from light to heavy molecules using a relativistic VQE algorithm
论文作者
论文摘要
量子古典杂种杂种量子量化（VQE）算法被认为是在嘈杂的中间尺度量子时代获得量子多体系统基态能量的最合适的方法。在这项工作中，我们将VQE算法扩展到相对论方案，并进行量子模拟以获得基态能量以及单个含量硅藻分子的分子永久性电偶极矩，从光beh分子开始，从光分子开始，一直到重型放射性RAH分子。我们研究这些系统的相关趋势，并评估我们在12 Q Qubit的活跃空间内的结果的精度。
The quantum-classical hybrid Variational Quantum Eigensolver (VQE) algorithm is recognized to be the most suitable approach to obtain ground state energies of quantum many-body systems in the noisy intermediate scale quantum era. In this work, we extend the VQE algorithm to the relativistic regime and carry out quantum simulations to obtain ground state energies as well as molecular permanent electric dipole moments of single-valence diatomic molecules, beginning with the light BeH molecule and all the way to the heavy radioactive RaH molecule. We study the correlation trends in these systems as well as assess the precision in our results within our active space of 12 qubits.
