电路效率高的量子位基于激发的变量量子自溶解器
Zhijie Sun1, Xiaopeng Li1, Jie Liu2
1Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China.
Journal of chemical theory and computation
|May 8, 2025
概括
这项研究引入了一个更高效的量子电路适应衍生组装伪流浪者 (ADAPT) 变量量子自身溶解器 (VQE). 新方法将电路深度减少28%,用于模拟分子电子结构.
科学领域:
- 量子计算是一种量子计算.
- 计算化学是一种计算化学.
- 量子算法中的量子算法
背景情况:
- 适应衍生组装伪流浪者 (ADAPT) 变量量子自溶解器 (VQE) 是一个强大的框架来确定分子基础和激发状态.
- 构建精确的波函数表示需要实施复杂的量子运算符,往往导致深层量子电路.
研究的目的:
- 在 ADAPT-VQE 框架内开发一个 CNOT 效率的电路来实现指数化的基于量子激发 (QEB) 的双体运算符.
- 为了减少在VQE模拟中使用的量子电路的深度,而不会影响准确性.
主要方法:
- 提出了一种新的电路架构,使用2量子比特控制的旋转门和CNOT门来实现指数化的双体QEB运算符.
- 将优化的电路集成到 ADAPT-VQE 算法中.
- 执行数值模拟以评估准确性和效率.
主要成果:
- 拟议的电路只需要9个CNOT门,每个双体QEB操作员.
- 与原来的QEB ADAPT-VQE方法相比,电路深度大约减少了28%.
- 在模拟小分子的基本状态和激发状态特性方面保持了准确性.
结论:
- 开发的CNOT高效电路为ADAPT-VQE提供了显著的改进.
- 这种方法提高了近期量子设备上电子结构的量子模拟的可行性.
- 该方法保留了关键的对称性,如粒子数和旋转.
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