论文标题
量子启发的算法，用于单一耦合簇理论的分解形式
A Quantum-Inspired Algorithm for the Factorized Form of Unitary Coupled Cluster Theory
论文作者
论文摘要
单位耦合簇理论（UCC）的分解形式是一种有前途的波功能ANSATZ，用于变异量子本元素算法。在这里，我们根据单个UCC因素的精确操作员身份提出了一种量子启发的UCC算法。我们实现此算法，以计算H $ _ {10} $线性链和H $ _2 $ o分子，具有单个和双$ζ$基套基集，以提供有关UCC作为波浪功能的ANSATZ的见解。我们发现，作为一种电子结构方法，UCC可能对密切相关的系统有价值，而常规耦合群集理论很难。在量子计算机上，UCC的分解形式也可以用作量子相位估计算法的初始状态制备方法，因为它与许多其他常见的变异ansatzes相比，它与基态的重叠更高。这种用于UCC的经典算法还可以对该技术进行广泛的测试，这将用于基准测试量子计算。
The factorized form of unitary coupled cluster theory (UCC) is a promising wave-function ansatz for the variational quantum eigensolver algorithm. Here, we present a quantum inspired algorithm for UCC based on an exact operator identity for the individual UCC factors. We implement this algorithm for calculations of the H$_{10}$ linear chain and the H$_2$O molecule with single and double $ζ$ basis sets to provide insights about UCC as a wave-function ansatz. We find that as an electronic structure method, UCC could potentially be valuable for strongly correlated systems, for which conventional coupled cluster theory has difficulties. On quantum computers, the factorized form of UCC can also serve as an initial state preparation method for the quantum phase-estimation algorithm, since it yields higher overlap with the ground state than many other common variational ansatzes. This classical algorithm for UCC also enables widespread testing of the technique, which will be useful for benchmarking quantum computations.
