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相关概念视频

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.
42.2K
Free Energy Changes for Nonstandard States03:25

Free Energy Changes for Nonstandard States

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The free energy change for a process taking place with reactants and products present under nonstandard conditions (pressures other than 1 bar; concentrations other than 1 M) is related to the standard free energy change according to this equation:
 
where R is the gas constant (8.314 J/K·mol), T is the absolute temperature in kelvin, and Q is the reaction quotient. This equation may be used to predict the spontaneity of a process under any given set of conditions.
Reaction Quotient...
11.4K
Fermi Level Dynamics01:12

Fermi Level Dynamics

235
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...
235
Molecular Kinetic Energy01:21

Molecular Kinetic Energy

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The word "gas" comes from the Flemish word meaning "chaos," first used to describe vapors by the chemist J. B. van Helmont. Consider a container filled with gas, with a continuous and random motion of molecules. During collisions, the velocity component parallel to the wall is unchanged, and the component perpendicular to the wall reverses direction but does not change in magnitude. If the molecule’s velocity changes in the x-direction, then its momentum is changed.
5.1K
The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

23.9K
In an atom, the negatively charged electrons are attracted to the positively charged nucleus. In a multielectron atom, electron-electron repulsions are also observed. The attractive and repulsive forces are dependent on the distance between the particles, as well as the sign and magnitude of the charges on the individual particles. When the charges on the particles are opposite, they attract each other. If both particles have the same charge, they repel each other.
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Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

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sp3d and sp3d 2 Hybridization
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相关实验视频

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Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit
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机器学习在量子计算机上加速精确的激发状态潜在能量表面计算.

Qianjun Yao1, Qun Ji1, Xiaopeng Li2

  • 1Key Laboratory of Quantum Materials and Devices of Ministry of Education, School of Physics, Southeast University, Nanjing 211189, China.

The journal of physical chemistry letters
|July 1, 2024
PubMed
概括

这项研究引入了一种机器学习模型,用于增强量子计算算法,用于预测激发状态潜在能量表面. 这种方法准确地建模了分子系统,为未来的量子化学应用铺平了道路.

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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科学领域:

  • 量子化学 是一个量子化学.
  • 计算化学的计算化学
  • 光物理学的光学物理学

背景情况:

  • 激发状态问题在量子化学中至关重要,在光物理和光化学中有应用.
  • 量子计算为潜在能量表面 (PES) 解决施罗丁格方程提供了一种新的方法.

研究的目的:

  • 开发一种机器学习辅助的算法,用于预测激发状态PES.
  • 为了利用变量量子通缩和子空间搜索变量量子eigensolver算法进行激发状态计算.

主要方法:

  • 开发了一个深度神经网络模型来预测量子电路参数.
  • 该模型与变量量子通缩和子空间搜索变量量子eigensolver算法集成.
  • 该算法用于研究小分子和ArF系统的兴奋状态PES.

主要成果:

  • 机器学习辅助的量子算法实现了对激发状态PES的高度准确的预测.
  • 这项研究成功地研究了ArF系统的兴奋状态特性,这对于气体激光器至关重要.

结论:

  • 开发的算法证明了量子计算在解决复杂的激发状态问题的潜力.
  • 量子硬件的未来进步可能使量子化学和相关领域的广泛应用成为可能.