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The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

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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.
42.5K
Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

677
In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
677
Fermi Level Dynamics01:12

Fermi Level Dynamics

284
The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
284
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

1.0K
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...
1.0K
Atomic Nuclei: Nuclear Spin01:08

Atomic Nuclei: Nuclear Spin

2.0K
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...
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Atomic Nuclei: Types of Nuclear Relaxation01:28

Atomic Nuclei: Types of Nuclear Relaxation

323
Nuclear relaxation restores the equilibrium population imbalance and can occur via spin–lattice or spin–spin mechanisms, which are first-order exponential decay processes.
In spin–lattice or longitudinal relaxation, the excited spins exchange energy with the surrounding lattice as they return to the lower energy level. Among several mechanisms that contribute to spin–lattice relaxation, magnetic dipolar interactions are significant. Here, the excited nucleus transfers...
323

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相关实验视频

Updated: Jul 20, 2025

Gradient Echo Quantum Memory in Warm Atomic Vapor
10:00

Gradient Echo Quantum Memory in Warm Atomic Vapor

Published on: November 11, 2013

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非adiabatic核电子动力学:一个量子计算方法.

Arseny Kovyrshin1, Mårten Skogh1,2, Lars Tornberg1

  • 1Data Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca Gothenburg, Pepparedsleden 1, Molndal SE-431 83, Sweden.

The journal of physical chemistry letters
|August 1, 2023
PubMed
概括
此摘要是机器生成的。

这项研究引入了一种模拟分子动态的量子算法,使得在质子转移过程中能够研究电子和原子核之间的持久纠. 这种方法克服了复杂量子系统的计算缩放限制.

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Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit
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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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相关实验视频

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科学领域:

  • 量子化学是一种量子化学.
  • 计算物理学的计算物理.
  • 分子动力学分子动力学

背景情况:

  • 合电子-核动力学经常使用类似于波恩-黄扩张的近似,将非adiabatic效应视为扰动.
  • 原生多元件方法避免近似,但面临着计算缩放的挑战.

研究的目的:

  • 开发和应用一个量子算法来模拟分子时间演变没有先验近似.
  • 用量子计算方法研究马隆甲中的质子转移动态.

主要方法:

  • 提出了一种新的量子算法,用于模拟合电子核动力学.
  • 应用了算法,以模拟一个刚性脚手架在malonaldehyde中的质子转移.
  • 探索了包括古典分子支架动力学的概括.

主要成果:

  • 在非adiabatic条件下,电子和核自由度之间的持续纠已被证明.
  • 展示了量子计算处理复杂分子动力学模拟的潜力.

结论:

  • 开发的量子算法为研究非adiabatic量子电子核动力学提供了一个有前途的途径.
  • 这种方法可以成为分子系统研究的宝贵工具,随着量子计算能力的进步.