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

Thin-Walled Hollow Shafts01:15

Thin-Walled Hollow Shafts

247
In analyzing a thin-walled hollow shaft subjected to torsional loading, a segment with width dx is isolated for examination. Despite its equilibrium state, this segment faces torsional shearing forces at its ends. These forces are quantitatively described by the product of the longitudinal shearing stress on the segment's minor surface and the area of this surface, leading to the concept of shear flow. This shear flow is consistent throughout the structure, indicating a uniform distribution...
247
PD Controller: Design01:26

PD Controller: Design

356
In automotive engineering, car suspension systems often employ Proportional Derivative (PD) controllers to enhance performance. PD controllers are utilized to adjust the damping force in response to road conditions. A controller, acting as an amplifier with a constant gain, demonstrates proportional control, with output directly mirroring input.
Designing a continuous-data controller requires selecting and linking components like adders and integrators, which are fundamental in Proportional,...
356
Equivalent Resistance01:16

Equivalent Resistance

595
In circuit analysis, situations often arise where resistors are neither in series nor parallel configurations. To tackle such scenarios, three-terminal equivalent networks like the wye (Y) (Figure 1 (a)) or tee (T) and delta (Δ) (Figure 1 (b)) or pi (π) networks come into play. These networks offer versatile solutions and are frequently encountered in various applications, including three-phase electrical systems, electrical filters, and matching networks.
595
Properties of DTFT I01:24

Properties of DTFT I

519
In signal processing, Discrete-Time Fourier Transforms (DTFTs) play a critical role in analyzing discrete-time signals in the frequency domain. Various properties of the DTFTs such as linearity, time-shifting, frequency-shifting, time reversal, conjugation, and time scaling help understand and manipulate these signals for different applications.
The linearity property of DTFTs is fundamental. If two discrete-time signals are multiplied by constants a and b respectively, and then combined to...
519
Transmission-Line Differential Equations01:26

Transmission-Line Differential Equations

407
Transmission lines are essential components of electrical power systems. They are characterized by the distributed nature of resistance (R), inductance (L), and capacitance (C) per unit length. To analyze these lines, differential equations are employed to model the variations in voltage and current along the line.
Line Section Model
A circuit representing a line section of length Δx helps in understanding the transmission line parameters. The voltage V(x) and current i(x) are measured...
407
Transmission Line Design Considerations01:23

Transmission Line Design Considerations

219
Aluminum has become the material of choice for overhead transmission lines, surpassing copper due to its abundance and cost-effectiveness. The most prevalent type is the aluminum conductor, steel-reinforced (ACSR), which combines aluminum strands around a steel core. Other variants include all-aluminum conductors (AAC), all-aluminum alloy conductors (AAAC), aluminum conductor alloy-reinforced (ACAR), and aluminum-clad steel conductors. Advanced designs, such as aluminum conductors with steel...
219

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

Structural Engineering of Cyanine Dyes to Access Shortwave Infrared-Emissive J-Aggregates.

Journal of the American Chemical Society·2026
Same author

Silicon Flavylium Polymethine Dyes for Shortwave Infrared Imaging.

Journal of the American Chemical Society·2026
Same author

Environment-Induced Exciton Renormalization in the Photosystem II Reaction Center.

Journal of chemical theory and computation·2026
Same author

Stochastic<i>GW</i>-GPU: Rapid Quasi-Particle Energies for Molecules beyond 10,000 Atoms.

Journal of chemical theory and computation·2026
Same author

Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein-de Haas.

The journal of physical chemistry letters·2026
Same author

Unraveling vibronic interactions in molecules functionalized with optical cycling centers.

The Journal of chemical physics·2026

相关实验视频

Updated: Sep 15, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.5K

参数化减弱交换用于通用的TDHF@vW应用程序.

Barry Y Li1, Tim Duong1, Tucker Allen1

  • 1Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095, USA.

The Journal of chemical physics
|July 15, 2025
PubMed
概括

我们为时间依赖的Hartree-Fock (TDHF) 方法开发了新的参数化,提高了分子光学间隙的精度. 这种方法提供了一种具有成本效益的方法,可以实现对分子性质的高准确性预测.

更多相关视频

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

8.3K
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.7K

相关实验视频

Last Updated: Sep 15, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.5K
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

8.3K
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.7K

科学领域:

  • 计算化学计算化学
  • 量子力学就是量子力学.
  • 理论光谱学 理论光谱学

背景情况:

  • 时间依赖的哈特里-福克 (TDHF) 方法与贝特-萨尔佩特方程 (BSE) 结合,是研究分子电子激发的强大工具.
  • 精确计算激子的结合能和光学间隙对于理解分子光物理学至关重要.
  • 以前的TDHF@vW方法需要系统特定的参数化,这限制了它们的广泛适用性.

研究的目的:

  • 在TDHF@vW方法中为减弱交换内核 (vW) 引入一种新的参数化方案.
  • 为准确预测分子光学差距开发一种广泛适用的,计算效率高的方法.
  • 为了降低与高精度电子结构计算相关的计算成本.

主要方法:

  • 逆介电函数的参数化使用一个低阶多项式与错误函数的apodization.
  • 在具有可比的静电介电反应的分子中利用激子结合能量的光物理相似性.
  • 在一些代表性分子上对七个参数方案进行校准.

主要成果:

  • 参数化的vW是电网独立的,在分子家族内广泛适用.
  • 与实验光学间隙相比,达到大约0.1 eV的平均绝对误差.
  • 与传统的TD密度函数理论 (TDDFT) 或TDHF相比,其准确性得到了5到10倍的改进.
  • 将计算成本降低到标准的TDHF.

结论:

  • 新的参数化方案显著提高了TDHF@vW方法用于预测光学间隙的准确性和适用性.
  • 这种方法提供了高精度 (BSE级) 和计算效率之间的平衡.
  • 该方法为理论光谱学和材料科学应用提供了一个有前途的工具.