论文标题
分子在量子计算机上的时间演变的稀疏汉密尔顿方法
Sparse-Hamiltonian approach to the time evolution of molecules on quantum computers
论文作者
论文摘要
量子化学已被视为量子计算的潜在早期应用之一。已经提出了两种用于电子结构计算的技术：（i）变异量子本素层和（ii）相位估计算法。在这两种情况下，问题的复杂性都会增加，而在哈密顿量不是稀疏或稀疏的基础集中，但需要许多轨道才能准确描述感兴趣的分子。在这项工作中，我们探讨了将分子问题映射到稀疏的哈伯德式汉密尔顿的可能性，该方法允许通过杂交量子量子古典算法采用基于绿色的功能的电子结构方法。我们用简单的四个位点氢环说明了这种方法的时间进化方面。
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the variational quantum eigensolver and (ii) the phase-estimation algorithm. In both cases, the complexity of the problem increases for basis sets where either the Hamiltonian is not sparse, or it is sparse, but many orbitals are required to accurately describe the molecule of interest. In this work, we explore the possibility of mapping the molecular problem onto a sparse Hubbard-like Hamiltonian, which allows a Green's-function-based approach to electronic structure via a hybrid quantum-classical algorithm. We illustrate the time-evolution aspect of this methodology with a simple four-site hydrogen ring.
