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

Woodward–Hoffmann Selection Rules and Microscopic Reversibility01:34

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

3.1K
Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...
3.1K
Multi-input and Multi-variable systems01:22

Multi-input and Multi-variable systems

106
Cruise control systems in cars are designed as multi-input systems to maintain a driver's desired speed while compensating for external disturbances such as changes in terrain. The block diagram for a cruise control system typically includes two main inputs: the desired speed set by the driver and any external disturbances, such as the incline of the road. By adjusting the engine throttle, the system maintains the vehicle's speed as close to the desired value as possible.
In the absence...
106
Genome-wide Association Studies-GWAS01:11

Genome-wide Association Studies-GWAS

13.4K
Genome-wide association studies or GWAS are used to identify whether common SNPs are associated with certain diseases. Suppose specific SNPs are more frequently observed in individuals with a particular disease than those without the disease. In that case, those SNPs are said to be associated with the disease. Chi-square analysis is performed to check the probability of the allele likely to be associated with the disease.
GWAS does not require the identification of the target gene involved in...
13.4K
Reason and Intuition01:37

Reason and Intuition

6.4K
The human brain processes information for decision-making using one of two routes: an intuitive system and a rational system (Epstein, 1994; popularized by Kahneman, 2011 as System 1 and System 2, respectively). The intuitive system is quick, impulsive, and operates with minimal effort, relying on emotions or habits to provide cues for what to do next, while the rational system is logical, analytical, deliberate, and methodical. Research in neuropsychology suggests that the...
6.4K
Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

635
In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
635
Collisions in Multiple Dimensions: Problem Solving01:06

Collisions in Multiple Dimensions: Problem Solving

4.2K
In multiple dimensions, the conservation of momentum applies in each direction independently. Hence, to solve collisions in multiple dimensions, we should write down the momentum conservation in each direction separately. To help understand collisions in multiple dimensions, consider an example.
A small car of mass 1,200 kg traveling east at 60 km/h collides at an intersection with a truck of mass 3,000 kg traveling due north at 40 km/h. The two vehicles are locked together. What is the...
4.2K

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

Connection between <i>GW</i> and Extended Coupled Cluster.

Journal of chemical theory and computation·2026
Same author

Reference Energies for Non-Relativistic Core Ionization Potentials.

Journal of chemical theory and computation·2026
Same author

Correction to "Excited-State Absorption: Reference Oscillator Strengths, Wave Function, and TDDFT Benchmarks".

Journal of chemical theory and computation·2026
Same author

QMCkl: A kernel library for quantum Monte Carlo applications.

The Journal of chemical physics·2026
Same author

Analytic G0W0 gradients based on a double-similarity transformation equation-of-motion coupled-cluster treatment.

The Journal of chemical physics·2026
Same author

Erratum: "Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation" [J. Chem. Phys. 162, 134105 (2005)].

The Journal of chemical physics·2026

相关实验视频

Updated: Jun 30, 2025

Examining Online Syntactic Processing of Spoken Complex Sentences in Chinese Using Dual-Modal Interference Tasks
08:32

Examining Online Syntactic Processing of Spoken Complex Sentences in Chinese Using Dual-Modal Interference Tasks

Published on: September 5, 2019

5.6K

GW能处理多引用系统吗?

Abdallah Ammar1, Antoine Marie1, Mauricio Rodríguez-Mayorga2

  • 1Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, Toulouse, France.

The Journal of chemical physics
|March 15, 2024
PubMed
概括

在GW近似有效地模拟弱相关的系统,但与强相关的多参考分子扎. 本研究探讨了各种强烈相关的场景中的GW性能,揭示了基于计算选择的细微结果.

更多相关视频

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

9.6K
A Pathway Association Study Tool for GWAS Analyses of Metabolic Pathway Information
05:01

A Pathway Association Study Tool for GWAS Analyses of Metabolic Pathway Information

Published on: July 1, 2020

3.3K

相关实验视频

Last Updated: Jun 30, 2025

Examining Online Syntactic Processing of Spoken Complex Sentences in Chinese Using Dual-Modal Interference Tasks
08:32

Examining Online Syntactic Processing of Spoken Complex Sentences in Chinese Using Dual-Modal Interference Tasks

Published on: September 5, 2019

5.6K
Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

9.6K
A Pathway Association Study Tool for GWAS Analyses of Metabolic Pathway Information
05:01

A Pathway Association Study Tool for GWAS Analyses of Metabolic Pathway Information

Published on: July 1, 2020

3.3K

科学领域:

  • 量子化学 是一个量子化学.
  • 计算物理 计算物理
  • 电子结构理论 电子结构理论

背景情况:

  • 由于无限气泡图的总和,GW近似对于弱相关系系统是成功的.
  • 它在具有强烈电子相关性的多参考系统中的性能在很大程度上尚未被探索.
  • 在这些具有挑战性的系统中理解GW对于准确的电子结构计算至关重要.

研究的目的:

  • 调查关闭外,单个基态多参考分子系统的GW近似的有效性.
  • 为了评估GW在各种场景中表现出强烈的电子相关性的性能.
  • 在存在强相关性时,确定影响GW准确性的因素.

主要方法:

  • 检查了BeH2在Be插入H2时的潜在能量曲线.
  • 计算了 LiF,BeO,BN,C2,B2 和 O3 的电子脱离/附着能量.
  • 研究了三角形H6集群用于旋转挫折和HF解离用于单键断裂.

主要成果:

  • 在多引用系统中,GW的性能对自我一致性和初始猜测的水平很敏感.
  • 在Hartree-Fock级别的旋转对称性破坏显著影响GW结果.
  • 该研究详细分析了GW在强相关性制度中的能力和局限性.

结论:

  • 在强烈相关的多参照系统中,GW近似显示了微妙的性能.
  • 准确性严重依赖于计算参数,如自我一致性和初始猜测.
  • 为了在复杂的分子系统中进行可靠的GW计算,需要进一步开发或仔细应用.