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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

42.2K
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.
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Quantum Numbers02:43

Quantum Numbers

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It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.
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Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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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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Equilibrium Conditions for a Particle01:23

Equilibrium Conditions for a Particle

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When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
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Atomic Orbitals02:44

Atomic Orbitals

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An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.
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Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit
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量子为中心的高性能计算用于量子化学.

Jie Liu1, Huan Ma1, Honghui Shang2

  • 1Hefei National Laboratory, University of Science and Technology of China, Hefei 230088, China. liujie86@ustc.edu.cn.

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此摘要是机器生成的。

量子中心高性能计算 (QCHPC) 融合了高性能计算和量子计算,以解决复杂的量子化学问题. 这种方法通过新的算法和量子模拟器来增强计算能力.

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科学领域:

  • 计算科学是一种计算科学.
  • 量子化学是一种量子化学.
  • 量子计算是一种量子计算.

背景情况:

  • 高性能计算 (HPC) 在复杂的问题解决方面表现出色.
  • 量子计算 (QC) 为量子化学提供了高效的解决方案.
  • 在量子中心高性能计算 (QCHPC) 中,HPC和QC的协同作用正在出现.

研究的目的:

  • 介绍适合QCHPC的量子算法.
  • 讨论量子中心超级计算机的并行实施策略.
  • 探索QCHPC在量子化学进步中的潜力.

主要方法:

  • 量子算法 QCHPC 的概念概述.
  • 讨论量子中心超级计算机上的并行化策略.
  • 高性能量子模拟模拟器的总结.

主要成果:

  • 确定了适用于QCHPC的量子算法.
  • 概述了量子中心超级计算机的并行策略.
  • 突出了量子仿真模拟器作为QCHPC探索的关键工具.

结论:

  • QCHPC代表了量子化学的重大进步.
  • 跨学科的合作对于QCHPC的实施至关重要.
  • 未来的研究应该解决QCHPC的挑战和探索机会.