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

Scaling01:26

Scaling

318
In designing and analyzing filters, resonant circuits, or circuit analysis at large, working with standard element values like 1 ohm, 1 henry, or 1 farad can be convenient before scaling these values to more realistic figures. This approach is widely utilized by not employing realistic element values in numerous examples and problems; it simplifies mastering circuit analysis through convenient component values. The complexity of calculations is thereby reduced, with the understanding that...
318
Problem-Solving: Tuning of a Guitar String01:04

Problem-Solving: Tuning of a Guitar String

557
In the case of stringed instruments like the guitar, the elastic property that determines the speed of the sound produced is its linear mass density or the mass per unit length. This is simply called the linear density. If the string's linear density is constant along the string, then the linear density is simply the total mass divided by the total length.
The string's wave speed can be regulated by varying the linear density. Tension is the other property that determines the speed of...
557
Mass Analyzers: Overview01:13

Mass Analyzers: Overview

808
The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
808
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

101
Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
101
Optimizing Chromatographic Separations01:15

Optimizing Chromatographic Separations

490
Optimizing chromatographic separations is crucial for obtaining clean separations in a minimum amount of time. Optimization is required for several factors, including kinetic effects related to band broadening, plate height, capacity factor, and separation factor.
Band broadening refers to spreading solute bands as they travel through the column. This broadening can impact resolution. Plate height (H) represents the length required for one theoretical plate. A lower plate height corresponds to...
490
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations01:08

IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

1.2K
Identical bonds within a polyatomic group can stretch symmetrically (in-phase) or asymmetrically (out-of-phase). Similar to hydrogen bonding, these vibrations also influence the shape of the IR peak. Generally, asymmetric stretching frequencies are higher than symmetric stretching frequencies. For example, primary amines exhibit two distinct IR peaks between 3300–3500 cm−1 corresponding to the symmetric and asymmetric N-H stretching, while secondary amines exhibit a single...
1.2K

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

Nonlocal Orbital-Free Kinetic Energy Functional from the Jellium-with-Gap Model for Finite Systems.

Journal of chemical theory and computation·2026
Same author

Adiabatic Connection Correlation Functionals in Metallic Solids from Hartree-Fock Gaussian Basis Set Ground State.

The journal of physical chemistry letters·2026
Same author

Frontier Orbital Engineering in Heteroatom-Doped Prototypical Organic Dyes for Dye-Sensitized Solar Cells.

The journal of physical chemistry. A·2026
Same author

Toward Doubly Local Double Hybrid Functionals Using Neural-Network Local Mixing Functions.

Journal of chemical theory and computation·2026
Same author

High ZT and low lattice thermal conductivity in defective half-Heusler Zr<sub>0.75</sub>PtSb1-xBi<sub><i>x</i></sub>alloys: promising for mid- and high-temperature thermoelectric applications.

Journal of physics. Condensed matter : an Institute of Physics journal·2025
Same author

Ultrafast Correlation Energy Estimator.

The journal of physical chemistry. A·2025

相关实验视频

Updated: Sep 12, 2025

Design and Characterization Methodology for Efficient Wide Range Tunable MEMS Filters
15:25

Design and Characterization Methodology for Efficient Wide Range Tunable MEMS Filters

Published on: February 4, 2018

6.2K

简化,物理动机,和广泛适用的范围分离调调.

Aditi Singh1, Subrata Jana2, Lucian A Constantin3

  • 1Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Toruń, Poland.

The journal of physical chemistry letters
|August 4, 2025
PubMed
概括

我们介绍了一种新的,高效的方法,用于计算激发状态属性,使用范围分离混合 (RSH) 函数. 这种方法使用电子密度和DFT总和规则,避免对复杂系统进行昂贵的调整.

更多相关视频

Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

9.1K
High Resolution Phonon-assisted Quasi-resonance Fluorescence Spectroscopy
10:40

High Resolution Phonon-assisted Quasi-resonance Fluorescence Spectroscopy

Published on: June 28, 2016

7.6K

相关实验视频

Last Updated: Sep 12, 2025

Design and Characterization Methodology for Efficient Wide Range Tunable MEMS Filters
15:25

Design and Characterization Methodology for Efficient Wide Range Tunable MEMS Filters

Published on: February 4, 2018

6.2K
Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

9.1K
High Resolution Phonon-assisted Quasi-resonance Fluorescence Spectroscopy
10:40

High Resolution Phonon-assisted Quasi-resonance Fluorescence Spectroscopy

Published on: June 28, 2016

7.6K

科学领域:

  • * 计算化学 计算机化学
  • * * 量子力学 量子力学是什么?
  • * 材料科学 材料科学

背景情况:

  • * 距离分离混合 (RSH) 函数对于激发状态属性是准确的.
  • *目前的RSH方法需要计算上昂贵的参数调整.
  • *对于像固体这样的大型复杂系统来说,调整通常是不可行的.

研究的目的:

  • * 开发一种计算效率高,准确的方法来确定RSH查参数.
  • * 绕过RSH功能计算中的代调整的需要.
  • * 为了使扩展系统能够准确的激发状态计算.

主要方法:

  • * 仅使用总电子密度来确定选参数.
  • * 结合密度函数理论 (DFT) 的可压缩性总和规则.
  • * 避免对参数进行优化的多重自一致场 (SCF) 计算.

主要成果:

  • * 拟议的方法为RSH参数的确定提供了一个简单而有效的替代方法.
  • * 实现了显著的精度,特别是在电荷转移激发方面.
  • * 性能优于以前的替代选参数方法.

结论:

  • *新的方法在物理上是透明的,可以自动化.
  • * 允许对大型和复杂的系统进行准确的DFT计算,包括散装固体.
  • * 提供了一种实际的解决方案,用于在没有系统特定调的情况下进行激发状态属性预测.