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相关概念视频

Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

959
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
959
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

42.0K
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.
42.0K
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

895
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of...
895
Atomic Radii and Effective Nuclear Charge03:08

Atomic Radii and Effective Nuclear Charge

51.3K
The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
51.3K
Nuclear Binding Energy02:13

Nuclear Binding Energy

12.3K
The difference between the calculated and experimentally measured masses is known as the mass defect of the atom. In the case of helium-4, the mass defect indicates a “loss” in mass of 4.0331 amu – 4.0026 amu = 0.0305 amu. The loss in mass accompanying the formation of an atom from protons, neutrons, and electrons is due to the conversion of that mass into energy that is evolved as the atom forms. The nuclear binding energy is the energy produced when the atoms’ nucleons...
12.3K
Atomic Nuclei: Nuclear Spin01:08

Atomic Nuclei: Nuclear Spin

1.7K
All atomic particles possess an intrinsic angular momentum, or 'spin'. Electrons, protons, and neutrons each have a spin value of ½, although protons and neutrons in nuclei may have higher half-integer spins owing to energetic factors.
Atomic nuclei have a net nuclear spin, , which can have an integer or half-integer value. In atomic nuclei, the spins of protons are paired against each other but not with neutrons, and vice versa. Consequently, an even number of protons does not...
1.7K

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相关实验视频

Updated: Jun 11, 2025

Gradient Echo Quantum Memory in Warm Atomic Vapor
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Gradient Echo Quantum Memory in Warm Atomic Vapor

Published on: November 11, 2013

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准确的核量子统计关于机器学习的经典有效潜能.

Iryna Zaporozhets1,2,3, Félix Musil1, Venkat Kapil4,5,6

  • 1Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany.

The Journal of chemical physics
|October 1, 2024
PubMed
概括
此摘要是机器生成的。

本研究介绍了一种机器学习的潜力,用于降低模拟分子动态中的核量子效应 (NQE) 的计算成本. 该方法准确地捕获各种系统中的NQEs,使复杂分子性质的高效模拟成为可能.

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions
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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions

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相关实验视频

Last Updated: Jun 11, 2025

Gradient Echo Quantum Memory in Warm Atomic Vapor
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions
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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions

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科学领域:

  • 计算化学是一种计算化学.
  • 分子动力学分子动力学
  • 在科学领域的机器学习.

背景情况:

  • 核量子效应 (NQE) 显著影响结系统,包括生物分子.
  • 使用途径积分分子动力学 (PIMD) 模拟NQEs在计算上昂贵,特别是在低温的复杂系统中.

研究的目的:

  • 开发一种计算效率高的方法,用于将NQE纳入分子模拟.
  • 通过使用机器学习技术来减少PIMD的计算负担.

主要方法:

  • 利用深度学习和多尺度粗粒分析.
  • 开发一个机器学习的潜力来表示对经典潜力的纠正.
  • 在四个不同的系统上验证方法:摩尔斯电位,津德尔电离子,单个水分子和散装水.

主要成果:

  • 机器学习潜力准确地代表了对经典潜力的纠正,大大降低了计算成本.
  • 该框架准确地计算了位置依赖的静态属性,显示与PIMD计算的良好一致.
  • 该方法有效地捕捉了测试系统中的强大的NQE.

结论:

  • 开发的框架提供了一个计算上可行的方法来模拟分子系统中的NQEs.
  • 这项工作为可转移的机器学习潜力在各种分子系统中进行准确的NQE模拟铺平了道路.