适应变量量子计算方法用于格林函数和非线性易感性.
Martin Mootz1, Thomas Iadecola1,2, Yong-Xin Yao1,2
1Ames National Laboratory, U.S. Department of Energy, Ames, Iowa 50011, United States.
Journal of chemical theory and computation
|September 27, 2024
概括
本研究介绍了量子计算方法来计算系统属性,如格林函数和非线性易感性. 这些自适应变量量子算法对材料科学和化学中的近期量子处理器有很大的前景.
科学领域:
- 量子计算是一种量子计算.
- 计算物理学的计算物理.
- 量子化学是一种量子化学.
背景情况:
- 计算实时单粒子格林函数和非线性易感度对于理解哈密尔顿系统至关重要.
- 传统方法面临复杂量子系统的挑战,需要新的计算方法.
研究的目的:
- 介绍和基准量子计算方法来计算实时格林函数和非线性灵敏度.
- 为了证明这些方法在近期量子处理器上的可行性.
主要方法:
- 利用自适应变量量子算法来准备和传播状态.
- 利用自动生成的紧电路进行动态演变.
- 在经典硬件上使用状态向量模拟器进行基准测试.
主要成果:
- 准确的格林函数计算费米 - 哈巴德链 (4和6位) 和LiH分子.
- 成功计算了量子自旋-1模型与Dzyaloshinskii-Moriya相互作用的第三阶非线性灵敏度.
- 在不同的替代电路深度下证明了可行性.
结论:
- 使用自适应参数化电路的实时量子计算方法可用于评估线性和非线性响应函数.
- 这些方法显示了与近期量子处理器的应用潜力.
- 该研究为缩物质和分子系统的量子模拟提供了一条途径.
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