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相关概念视频

The Quantum-Mechanical Model of an Atom02:45

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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.
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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...
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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...
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Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
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热准粒子理论 热准粒子理论

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  • 1Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.

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概括
此摘要是机器生成的。

这项研究将热哈特里-福克 (HF) 理论概括为包括电子相关性,提出新的热轨道能量,保持热力学一致性,并在中间温度下提供比标准方法的改进.

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科学领域:

  • 量子化学 是一个量子化学.
  • 凝聚物质物理学 凝聚物质物理学
  • 统计力学 统计力学

背景情况:

  • 热哈特里-福克 (HF) 理论是一种广泛用于在有限温度下进行电子结构计算的方法.
  • 现有的方法往往忽略了电子相关效应或偏离了基本的热力学原理.
  • 需要理论框架,准确地将电子相关性纳入有限温度的准独立粒子图像中.

研究的目的:

  • 通过结合电子相关性效应来概括热哈特里-福克 (HF) 理论.
  • 开发一个理论框架,保持一个准独立的粒子结构,同时考虑电子相关性.
  • 为了建立一个物理上有意义的解释由此产生的热轨道能量.

主要方法:

  • 根据二次有限温度多体扰动理论 (MBPT) 假定与电子相关的内部能量 (大潜力).
  • 导出满足基本热力学关系的热轨道 (准粒子) 能量.
  • 制定一个密度矩阵,其对角元素是最小化大潜力的费米 - 迪拉克分布函数.

主要成果:

  • 开发的理论提供了二次戴森自能的有限温度延伸.
  • 它可以被解释为一个二次的,对角的,独立于频率的,热反向的戴森方程.
  • 该理论的热轨道能量被认为是Janak定理的有限温度模拟,提供了物理解释.

结论:

  • 一般化理论成功地将电子相关性纳入了热HF框架.
  • 它保持了热力学一致性,并且在中间温度下比标准有限温度MBPT具有潜在的优势.
  • 热轨道能量的拟议物理含义提高了理论的解释性.