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相关概念视频

State Space Representation01:27

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The frequency-domain technique, commonly used in analyzing and designing feedback control systems, is effective for linear, time-invariant systems. However, it falls short when dealing with nonlinear, time-varying, and multiple-input multiple-output systems. The time-domain or state-space approach addresses these limitations by utilizing state variables to construct simultaneous, first-order differential equations, known as state equations, for an nth-order system.
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Local attraction refers to disturbances in compass readings caused by magnetic influences from nearby objects such as metal fences, buried pipes, vehicles, buildings, power lines, or natural iron ore deposits. Small items like wristwatches, steel tools, or belt buckles can also interfere with the compass by creating local magnetic fields that distort the Earth's natural magnetic field. These distortions lead to inaccurate readings, posing navigation and land surveying challenges.Local...
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State Space to Transfer Function01:21

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The conversion of state-space representation to a transfer function is a fundamental process in system analysis. It provides a method for transitioning from a time-domain description to a frequency-domain representation, which is crucial for simplifying the analysis and design of control systems.
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Consider an external electric field propagating through a homogeneous medium. When the electric field crosses the surface boundary of the medium, it undergoes a discontinuity. The electric field can be resolved into normal and tangential components. The amount by which the field changes at any boundary is given by the difference between the field components above and below the surface boundary.
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局部化 活动空间 状态 互动 单元 单元

Matthew R Hermes1, Bhavnesh Jangid1, Valay Agarawal1

  • 1Department of Chemistry, University of Chicago, Chicago, Illinois 60637, United States.

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概括
此摘要是机器生成的。

我们介绍LASSIS,一种用于建模复杂分子的新电子结构方法. 这种方法准确地捕捉了多个局部中心的系统中的电子相关性,改善了计算化学预测.

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科学领域:

  • 计算化学是一种计算化学.
  • 量子化学是一种量子化学.
  • 电子结构理论 电子结构理论

背景情况:

  • 建模低能电子状态对于理解化学系统至关重要.
  • 具有多个本地化的强电子相关性中心的系统带来了重大的计算挑战.
  • 现有的方法可能很难准确地捕捉断片间电子相关性.

研究的目的:

  • 介绍了一种名为LASSIS的新型多参考电子结构方法.
  • 开发一种方法,在具有多个局部电子相关中心的系统中建模低能电子状态.
  • 自动化模型状态的确定,以提高准确性和可用性.

主要方法:

  • 局部化活动空间状态交互单元 (LASSIS) 方法.
  • 两步对角化用于建模电子状态.
  • 与多配置对密度函数理论 (MC-PDFT) 集成用于能源计算.

主要成果:

  • 拉西斯有效地模拟了具有强烈电子相关性的多个不同的局部中心的系统.
  • 该方法解释了这些中心之间的较弱但显著的电子相关性.
  • 拉西斯自动确定模型状态的电荷和旋转分布,消除了用户输入的依赖.
  • 测试计算质量地复制了多金属过渡金属化合物的融合DMRG-PDFT的结果.

结论:

  • 拉西斯 (LASSIS) 为研究复杂的电子结构提供了一种强大而自动化的方法.
  • 该方法对准确描述多金属过渡金属化合物充满希望.
  • 拉西斯在多参考电子结构理论方面提供了宝贵的进步.