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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

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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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Equivalent Circuits for Practical Transformers01:28

Equivalent Circuits for Practical Transformers

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The practical equivalent circuits of single-phase two-winding transformers exhibit significant deviations from their idealized versions due to the inherent properties of winding resistance and finite core permeability. These properties result in real and reactive power losses, affecting the transformer's performance. Understanding these deviations is crucial for designing more efficient transformers.
In a practical transformer, each winding exhibits resistance and leakage reactance. The...
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Transformers with Off-Nominal Turns Ratios01:25

Transformers with Off-Nominal Turns Ratios

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In scenarios involving parallel transformers with disparate ratings, developing per-unit models requires accommodating off-nominal turns ratios. This situation arises when the selected base voltages are not proportional to the transformer’s voltage ratings. Consider a transformer where the rated voltages are related by the term a. If the chosen voltage bases satisfy a relationship involving term b, term c is defined as the ratio of these bases. This ratio is then substituted into the...
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Transformers01:26

Transformers

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A device that transforms voltages from one value to another using induction is called a transformer. A transformer consists of two separate coils, or windings, wrapped around the same soft iron core. However, they are electrically insulated from each other.
The iron core has a substantial relative permeability. Therefore, the magnetic field lines generated due to the current in one winding are almost entirely confined within the core, such that the same magnetic flux permeates each turn of both...
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The Ideal Transformer01:26

The Ideal Transformer

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In single-phase two-winding transformers, two windings are coiled around a magnetic core characterized by cross-sectional area A and magnetic permeability μ. A phasor current i1 enters the left winding while i2 exits the right winding, establishing the fundamental working of the transformer through electromagnetic principles.
Ampere's Law forms the basis of understanding the magnetic field within the transformer. It states that the integral of the magnetic field intensity's tangential...
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Three-Winding Transformers01:19

Three-Winding Transformers

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Three identical single-phase transformers can be configured to form a three-phase transformer connection, which involves high-voltage and low-voltage windings. The high-voltage windings are denoted by capital letters A-B-C, while the low-voltage windings are labeled with lowercase letters a-b-c, representing their respective phases. This notation helps distinguish between the high and low voltage sides of the transformer.
In the per-unit equivalent circuit of a grounded Y-Y three-phase...
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Generation and Coherent Control of Pulsed Quantum Frequency Combs
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用基于变压器的框架解决许多电子的施罗丁格方程.

Honghui Shang1, Chu Guo2, Yangjun Wu2

  • 1State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, China. shanghui.ustc@gmail.com.

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概括

QiankunNet是一个新的神经网络量子状态 (NNQS) 框架,使用变压器架构和蒙特卡洛树搜索准确地解决了许多电子的施罗丁格方程. 这一突破为复杂的化学系统,包括芬顿反应机制,实现了高精度.

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科学领域:

  • 量子化学是一种量子化学.
  • 计算物理学的计算物理.
  • 材料科学 是一种材料科学.

背景情况:

  • 对于复杂的量子系统来说,解决施罗丁格方程在计算上是非常苛刻的.
  • 精确的电子相关性建模对于理解化学行为至关重要.

研究的目的:

  • 介绍QiankunNet,一个新的神经网络量子状态 (NNQS) 框架,用于解决多电子施罗丁格方程.
  • 证明框架在准确描述复杂电子结构和量子相关性方面的能力.

主要方法:

  • 使用变压器架构用于波函数代替捕获量子相关性.
  • 采用高效的自回归采样与层wise蒙特卡罗树搜索 (MCTS) 进行量子状态探索.
  • 结合使用截断配置交互 (CI) 解决方案的基于物理的初始化.

主要成果:

  • 达到了99.9%的完整配置相互作用 (FCI) 基准对应能量,用于多达30个自旋轨道的分子系统.
  • 成功处理了一个大型CAS ((46e,26o) 活性空间用于芬顿反应机制.
  • 在各种化学系统中表现出高精度和多功能性.

结论:

  • QiankunNet为量子化学中的NNQS准确性设定了一个新的标准.
  • 该框架允许精确建模复杂的电子结构,对于像芬顿反应这样的过程至关重要.
  • 通过精确的量子力学模拟,QiankunNet提供了一个强大的工具,用于推进物理科学.