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相关概念视频

The Quantum-Mechanical Model of an Atom02:45

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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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Thermodynamic Systems01:06

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A thermodynamic system is a set of objects whose thermodynamic properties are of interest. The system is considered to be embedded in its surroundings or the environment. The system and its environment can exchange heat and do work on each other through a boundary that separates them. However, the immediate surroundings of the system interact with it directly and therefore have a much stronger influence on its behavior and properties.
Consider an example of  tea boiling in a kettle. The...
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Phylogenetic trees come in many forms. It matters in which sequence the organisms are arranged from the bottom to the top of the tree, but the branches can rotate at their nodes without altering the information. The lines connecting individual nodes can be straight, angled, or even curved.
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Virtual work is a powerful method used to solve problems involving several connected rigid bodies. When the system is in equilibrium, virtual work is zero. This allows the calculation of the resulting forces when a system undergoes a virtual displacement. When attempting to analyze such a system, first, use a free-body diagram, where an independent coordinate represents the configuration of the links, and mark its deflected position resulting from the positive virtual displacement.
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Net Torque Calculations01:19

Net Torque Calculations

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When a mechanic tries to remove a hex nut with a wrench, it is easier if the force is applied at the farthest end of the wrench handle. The lever arm is the distance from the pivot point (the hex nut in this case) to the person’s hand. If this distance is large, the torque is higher. Only the component of the force perpendicular to the lever arm contributes to the torque. Therefore, pushing the wrench perpendicular to the lever arm is more advantageous. If multiple people apply force to...
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A Y-connected synchronous generator, grounded through a neutral impedance, is designed to produce balanced internal phase voltages with only positive-sequence components. The generator's sequence networks include a source voltage that is exclusively in the positive-sequence network. The sequence components of line-to-ground voltages at the generator terminals illustrate this configuration.
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相关实验视频

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pyTTN:一个开源工具箱,用于使用树张量网络进行开放和封闭系统量子动力学模拟.

Lachlan P Lindoy1, Daniel Rodrigo-Albert1, Yannic Rath1

  • 1National Physical Laboratory, Teddington TW11 0LW, United Kingdom.

The Journal of chemical physics
|November 24, 2025
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概括

我们介绍了用于模拟量子系统的Python树张量网络 (pyTTN) 包. 这个工具有效地利用树张量网络 (TTN) 对封闭和开放系统进行量子动态模型.

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科学领域:

  • 计算物理 计算物理
  • 量子化学 是一个量子化学.
  • 量子信息科学 量子信息科学

背景情况:

  • 准确模拟量子系统对于理解分子动力学和材料特性至关重要.
  • 现有的方法经常面临可扩展性挑战,随着系统规模和复杂性的增加.
  • 基于树张量网络 (TTN) 的波函数表示为高效的量子模拟提供了有希望的方法.

研究的目的:

  • 介绍Python树张量网络 (pyTTN) 软件包,用于评估量子系统的动态特性.
  • 通过使用TTN方法实现封闭和开放量子系统的高效模拟.
  • 为先进的量子动力学研究提供一个用户友好和可扩展的平台.

主要方法:

  • 使用树张量网络 (TTN) 对波函数的表示.
  • 通过子空间扩张实现自适应键维度技术以提高效率.
  • 支持一般哈密尔顿的零和有限温度计算.
  • 包括用于开放量子系统动态的工具,如层次运动方程和通用准-林德布拉德方法.

主要成果:

  • 通过对pyrazine中的光刺激动态的基准模拟来证明包装的能力.
  • 将pyTTN应用于捐赠者-接受者系统中激子动态的具有挑战性的模型.
  • 成功建模了各种开放量子系统,包括自旋玻色子模型和安德森杂质模型.

结论:

  • pyTTN 软件包为量子动力学模拟提供了一个强大,高效和用户友好的工具.
  • 它的设计有助于整合到更广泛的计算建模工作流程.
  • pyTTN非常适合在凝聚物质物理学,量子化学和量子信息科学中的各种应用.