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相关概念视频

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

42.3K
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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Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

939
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of...
939
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

975
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
975
2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

707
Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
707
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

1.4K
The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved...
1.4K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.0K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.0K

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相关实验视频

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Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
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对于强相关系系统的稀少量子状态准备.

César Feniou1,2, Olivier Adjoua1, Baptiste Claudon1,2

  • 1Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France.

The journal of physical chemistry letters
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概括

量子状态准备是量子化学的关键. 叠加-ADAPT-VQE算法显示了近期量子计算应用的最佳性能,特别是强相关系系统.

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科学领域:

  • 量子化学是一种量子化学.
  • 量子信息科学是一种量子信息科学.
  • 计算物理学的计算物理.

背景情况:

  • 量子计算通过将复杂的波函数编码到量子比特上,为经典量子化学方法的局限性提供了一个潜在的解决方案.
  • 将量子比特精确初始化到近似的基本状态对于量子算法的实用性至关重要.
  • 量子状态准备方法产生近似的固态,但通常被视为黑子预言.

研究的目的:

  • 研究和比较不同的量子状态准备方法,用于强相关系的系统的基本状态.
  • 以电路深度和经典复杂性来评估这些方法的性能.
  • 确定最适合近期量子计算应用的算法.

主要方法:

  • 使用Hyperion-1 GPU加速状态向量模拟器进行模拟.
  • 研究了对高达28量子比特的原型强相关系系统的量子状态准备.
  • 对比了各种变量和非变量量子状态准备算法.

主要成果:

  • 与其他方法相比,重叠-ADAPT-VQE算法表现出卓越的性能.
  • 评估了不同算法的电路深度和经典计算成本之间的权衡.
  • 成功模拟了对需要高达28个量子比特的系统的量子状态准备.

结论:

  • 叠加-ADAPT-VQE算法是近期量子计算中量子状态准备的一个非常有前途的方法.
  • 有效的量子状态准备对于推进量子化学模拟至关重要.
  • 这项研究为强相关系系统的量子算法的实际实施提供了宝贵的见解.