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The free energy change for a process taking place with reactants and products present under nonstandard conditions (pressures other than 1 bar; concentrations other than 1 M) is related to the standard free energy change according to this equation:
 
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Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
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Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
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通过变量量子自溶器对当前量子硬件进行地面状态能量估计:一项实践研究.

Nacer Eddine Belaloui1,2, Abdellah Tounsi1,2, Abdelmouheymen Rabah Khamadja1,2

  • 1Constantine Quantum Technologies, Frères Mentouri University Constantine 1, Ain El Bey Road, Constantine 25017, Algeria.

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这项研究探讨了变量量子Eigensolver (VQE) 用于分子基态能量估计. 听觉方法 (HEA) 在量子硬件上显示出比UCCSD更好的噪声弹性.

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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:

  • 精确估计分子基态能量对于化学模拟至关重要.
  • 变量量子Eigensolver (VQE) 是这项任务的领先量子算法.
  • 评估VQE在当前杂量子硬件上的性能对于实际应用是必不可少的.

研究的目的:

  • 在真实量子硬件上研究BeH2分子的VQE性能.
  • 在各种噪音条件下比较启发式方法 (HEA) 和单双单双单元组合方法 (UCCSD) 的有效性.
  • 评估在VQE融合期间在没有明确的误差缓解的情况下实现化学精度的可行性.

主要方法:

  • 在IBM量子硬件模拟器和一个真实量子设备 (IBM Fez) 上使用Qiskit 1.2实现VQE.
  • 对HEA和UCCSD关于无噪声和噪声模拟的比较分析,包括IBM量子计算机噪声模型.
  • 应用噪声减轻技术,特别是零噪声推断 (ZNE),作为后处理步骤.
  • 哈密尔顿构造和费米子到量子比特转换的详细方法.

主要成果:

  • 在理想条件下,UCCSD Ansatz可靠地运行,而HEA在硬件噪声方面表现出卓越的稳定性.
  • 在状态向量模拟 (SVS) 上,HEA 实现了化学精度.
  • 在化学精度内的基态能量在VQE收过程中甚至可以在没有错误减轻的情况下实现.
  • 量子设备有效地优化参数,尽管能量误估;SVS能量提供比QPU估计的能量更准确的质量评估.

结论:

  • 即使在量子噪声的存在下,VQE也可以汇聚到正确的基本状态.
  • 在量子化学中,HEA是噪音量子计算的有希望的替代品.
  • 该研究提供了一个实用的框架和验证的方法来适应VQE用于各种量子计算应用.