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

Reduced Mass Coordinates: Isolated Two-body Problem01:12

Reduced Mass Coordinates: Isolated Two-body Problem

1.3K
In classical mechanics, the two-body problem is one of the fundamental problems describing the motion of two interacting bodies under gravity or any other central force. When considering the motion of two bodies, one of the most important concepts is the reduced mass coordinates, a quantity that allows the two-body problem to be solved like a single-body problem. In these circumstances, it is assumed that a single body with reduced mass revolves around another body fixed in a position with an...
1.3K
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

42.1K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
42.1K
The Pauli Exclusion Principle03:06

The Pauli Exclusion Principle

35.9K
The arrangement of electrons in the orbitals of an atom is called its electron configuration. We describe an electron configuration with a symbol that contains three pieces of information:
35.9K
The de Broglie Wavelength02:32

The de Broglie Wavelength

25.4K
In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...
25.4K
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
The Uncertainty Principle04:08

The Uncertainty Principle

23.2K
Werner Heisenberg considered the limits of how accurately one can measure properties of an electron or other microscopic particles. He determined that there is a fundamental limit to how accurately one can measure both a particle’s position and its momentum simultaneously. The more accurate the measurement of the momentum of a particle is known, the less accurate the position at that time is known and vice versa. This is what is now called the Heisenberg uncertainty principle. He...
23.2K

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

A Lanczos-based algorithm for the analysis of NMR spin-spin coupling constants in terms of pairs of occupied and virtual orbitals: The Fermi-contact term at the RPA level of theory.

The Journal of chemical physics·2026
Same author

The x-ray absorption spectrum of the propargyl radical C3H3●.

The Journal of chemical physics·2026
Same author

Velocity formulations for hyper-Rayleigh scattering optical activity spectroscopy: Addressing the origin-dependence problem.

The Journal of chemical physics·2026
Same author

On the importance of relativistic corrections to the vibrational averaging of molecular properties: A zeroth-order regular approximation study on selected mercury compounds.

The Journal of chemical physics·2026
Same author

Assessment of Excited-State Methods for One- and Two-Photon Absorption in the Retinal Protonated Schiff Base.

The journal of physical chemistry. A·2026
Same author

Evidence of orbital mixing upon ionization via Cooper minimum photoelectron dynamics in epichlorohydrin. Experiment and theory.

The Journal of chemical physics·2026

相关实验视频

Updated: Jun 17, 2025

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

8.9K

量子线性响应的减少密度矩阵公式.

Theo Juncker von Buchwald1, Karl Michael Ziems1, Erik Rosendahl Kjellgren2

  • 1Department of Chemistry, Technical University of Denmark, Kemitorvet Building 207, DK-2800 Kongens Lyngby, Denmark.

Journal of chemical theory and computation
|August 6, 2024
PubMed
概括

本研究引入了一种减少密度矩阵 (RDM) 驱动的量子线性响应 (qLR) 方法. 这一进步使量子计算机上分子的光谱性质预测更有效.

更多相关视频

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

8.4K
Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

9.6K

相关实验视频

Last Updated: Jun 17, 2025

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

8.9K
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

8.4K
Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

9.6K

科学领域:

  • 量子化学是一种量子化学.
  • 计算光谱学是一种计算光谱学.
  • 量子计算应用程序 量子计算应用程序

背景情况:

  • 线性响应 (LR) 理论对于预测光谱性质和理解光感应过程至关重要.
  • 量子计算为量子化学计算提供了新的途径.
  • 之前的工作适应了量子硬件的LR理论作为量子线性响应 (qLR),使用截断的活性空间和轨道旋转.

研究的目的:

  • 为了降低混合量子-经典qLR方法的经典计算成本.
  • 为了使用量子硬件计算更大的分子和基础集的光谱性质.
  • 研究射击噪声对光谱预测的影响.

主要方法:

  • 导出和实施一个减少密度矩阵 (RDM) 驱动的方法为qLR.
  • 在使用cc-pVTZ基数组对和R-甲基洛克西兰应用qLR方法.
  • 对H2O的价值和氧K边缘吸收光谱的模拟,包括射击噪声的影响.

主要成果:

  • 由RDM驱动的qLR方法允许使用显著更大的基础集进行光谱属性计算.
  • 对于和R-甲基洛克西兰,获得了准确的qLR结果.
  • 该研究描述了射击噪声对吸收光谱的影响.

结论:

  • 以RDM驱动的qLR方法是一种有前途的混合方法,用于高效的光谱属性预测.
  • 这种方法扩大了量子计算用于分子光谱学的能力.
  • 了解射击噪声效应对于可靠的量子光谱预测至关重要.