Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Linear Approximation in Time Domain01:21

Linear Approximation in Time Domain

75
Nonlinear systems often require sophisticated approaches for accurate modeling and analysis, with state-space representation being particularly effective. This method is especially useful for systems where variables and parameters vary with time or operating conditions, such as in a simple pendulum or a translational mechanical system with nonlinear springs.
For a simple pendulum with a mass evenly distributed along its length and the center of mass located at half the pendulum's length,...
75
Linear Approximation in Frequency Domain01:26

Linear Approximation in Frequency Domain

88
Linear systems are characterized by two main properties: superposition and homogeneity. Superposition allows the response to multiple inputs to be the sum of the responses to each individual input. Homogeneity ensures that scaling an input by a scalar results in the response being scaled by the same scalar.
In contrast, nonlinear systems do not inherently possess these properties. However, for small deviations around an operating point, a nonlinear system can often be approximated as linear....
88
Area Computation by the Alternative Coordinate Method01:24

Area Computation by the Alternative Coordinate Method

50
The alternative coordinate method, also known as the Shoelace Formula, is a technique for determining the area of a traverse using Cartesian coordinates. This method relies on the sequential arrangement of x and y coordinates for each point of the shape, ensuring accuracy and ease of application.In this approach, each corner's x and y coordinates are listed as fractions, with the x-coordinate as the numerator and the y-coordinate as the denominator. These coordinates are arranged sequentially...
50
State Space Representation01:27

State Space Representation

185
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.
Consider an RLC circuit, a...
185
State Space to Transfer Function01:21

State Space to Transfer Function

188
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.
The transformation process begins with the state-space representation, characterized by the state equation and the output equation. These equations are typically represented as:
188
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

1.3K
A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to...
1.3K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Why projection-based WF-in-DFT cannot be exact, even with the exact exchange-correlation functional. Formal and practical sources of errors.

The Journal of chemical physics·2026
Same author

Optimally Tuned Multiconfigurational Short-Range DFT for Linear Response Properties.

The journal of physical chemistry. A·2026
Same author

Projection-Based DMRG-in-DFT Embedding Corrected by Nonadditive Exchange-Correlation.

Journal of chemical theory and computation·2026
Same author

Multireference Dynamic Correlation Energy from the Combined Particle-Hole and Particle-Particle Adiabatic Connection with Random Phase Approximation.

Journal of chemical theory and computation·2026
Same author

Time-Dependent Multiconfigurational Short-Range Density Functional Theory with Generalized Valence Bond Wave Functions.

The journal of physical chemistry. A·2025
Same author

First-Order Symmetry-Adapted Perturbation Theory with Double Exchange for Multireference Systems.

Journal of chemical theory and computation·2025
Same journal

Vibrational and Structural Properties of Aqueous H<sub>2</sub>SO<sub>4</sub> and Na<sub>2</sub>SO<sub>4</sub> Systems from Ambient to Supercritical Conditions: A Comparative Study between GGA(-D3) and r2SCAN Functionals.

The journal of physical chemistry. A·2026
Same journal

The Sigma Ring and Other Distinctive Features of Surface Potentials of Group 1 Systems.

The journal of physical chemistry. A·2026
Same journal

Modeling DOTA Decarboxylation in the Context of α-Radiolysis Using DFT Calculations.

The journal of physical chemistry. A·2026
Same journal

Mode-Selective Dual-Level Vibrational Perturbation Theory Assisted by Machine Learning for Rotational and Vibrational Spectra of Benzoic Acid and Aspirin.

The journal of physical chemistry. A·2026
Same journal

On the Nonparametric Diabatization of Coupled Electronic States.

The journal of physical chemistry. A·2026
Same journal

Stability of Some Ternary 13-Atom Icosahedral Clusters Assessed with Geometric, Electronic, and Thermodynamic Criteria.

The journal of physical chemistry. A·2026
查看所有相关文章

相关实验视频

Updated: Jun 17, 2025

Confocal Microscopy Reveals Cell Surface Receptor Aggregation Through Image Correlation Spectroscopy
06:51

Confocal Microscopy Reveals Cell Surface Receptor Aggregation Through Image Correlation Spectroscopy

Published on: August 2, 2018

7.1K

自适应的短距离相关函数用于完整的主动基于空间的近似.

Michał Hapka1, Ewa Pastorczak2, Katarzyna Pernal2

  • 1Faculty of Chemistry, University of Warsaw, Warsaw 00-927, Poland.

The journal of physical chemistry. A
|August 8, 2024
PubMed
概括
此摘要是机器生成的。

我们开发了一种新方法来改进活跃空间模型的短距离相关性能量计算. 这种方法通过计算电子相互作用来提高复杂分子系统的准确性.

更多相关视频

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
07:11

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis

Published on: August 19, 2021

2.4K
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.1K

相关实验视频

Last Updated: Jun 17, 2025

Confocal Microscopy Reveals Cell Surface Receptor Aggregation Through Image Correlation Spectroscopy
06:51

Confocal Microscopy Reveals Cell Surface Receptor Aggregation Through Image Correlation Spectroscopy

Published on: August 2, 2018

7.1K
ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
07:11

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis

Published on: August 19, 2021

2.4K
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.1K

科学领域:

  • 量子化学 是一个量子化学.
  • 计算化学的计算化学
  • 理论化学 理论化学

背景情况:

  • 活跃空间波函数模型对于描述复杂分子系统中的电子相关性至关重要.
  • 准确处理短距离电子相关性仍然是现有计算方法的挑战.
  • 基本集不完整性错误可能会影响波函数计算的准确性.

研究的目的:

  • 为活跃空间波函数模型开发一种新的短距离相关性能量校正.
  • 提高对具有强静态和动态相关性系统的量子化学计算的准确性.
  • 引入一种方法,即使在完整的基础设置限制中,也可以确保非零的短距离相关性.

主要方法:

  • 开发一个自适应的,局部范围分离参数,用于短距离的多决定因素相关函数.
  • 将相关函数集成到CASSCF波函数的多引用附带连接理论中.
  • 该方法利用上方对密度来减少静态相关性区域中的短距离相关性.

主要成果:

  • 拟议的CAS-AC0-(c,md) 模型成功地纳入了短期相关性效应.
  • 精确的潜在能量曲线获得了土金属二极体 (Be2,Mg2,Ca2).
  • 对于二元体也取得了有希望的结果,这表明其广泛适用性.

结论:

  • 开发的短距离相关性校正为活跃空间模型提供了显著的改进.
  • 自适应范围分离参数有效地捕获了重要的电子相关效应.
  • 该方法显示了在具有挑战性的化学系统中准确预测分子性能的潜力.