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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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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.
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Vibrating Concrete01:19

Vibrating Concrete

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Mechanical vibrators are instrumental in compacting newly poured concrete within formwork and around reinforcements. This process is essential to eliminate trapped air pockets and establish a dense concrete mass. One widely used method is vibrating by internal vibrators, often referred to as a poker vibrator or immersion vibrator. It is rapidly inserted through the full depth of the freshly laid concrete and slightly extends into the layer below it (which remains in a plastic state). Consistent...
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Molecules and Compounds02:38

Molecules and Compounds

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Atoms and Molecules
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IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

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When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
4.8K
Dynamic Equilibrium02:20

Dynamic Equilibrium

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A reversible chemical reaction represents a chemical process that proceeds in both forward (left to right) and reverse (right to left) directions. When the rates of the forward and reverse reactions are equal, the concentrations of the reactant and product species remain constant over time and the system is at equilibrium. A special double arrow is used to emphasize the reversible nature of the reaction. The relative concentrations of reactants and products in equilibrium systems vary greatly;...
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Tactile Vibrating Toolkit and Driving Simulation Platform for Driving-Related Research
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光学を用いた分子振動量子ダイナミクスのシミュレーション

Chris Sparrow1,2, Enrique Martín-López3, Nicola Maraviglia1

  • 1Quantum Engineering and Technology Laboratories, School of Physics and Department of Electrical and Electronic Engineering, University of Bristol, Bristol, UK.

Nature
|June 1, 2018
PubMed
まとめ

再プログラム可能な光子チップは 分子振動を光子にマッピングすることで 分子量子力学をシミュレートします この汎用性のあるプラットフォームは,様々な分子における複雑な量子行動の研究を可能にし,フェムト化学を進歩させています.

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科学分野:

  • 量子化学について
  • フォトニック・システム
  • 分子力学

背景:

  • 分子振動量子状態の制御は モデリングの課題を提示します
  • 量子シミュレーションの方法は これらの複雑なシステムに 潜在的な解決策を提供します

研究 の 目的:

  • 分子量子ダイナミクスをシミュレートする 多用途のプラットフォームとして 再プログラム可能な光子チップを実証する
  • フォトニックシミュレーションを用いて様々な分子システムにおける量子ダイナミックな振る舞いを探求する.

主な方法:

  • 分子振動と光子の間の自然マッピングを活用する.
  • 振動刺激の時間進化をシミュレートする ハーモニック近似数個の4原子分子.
  • 分子モデルのエネルギー伝達,熱の放緩,および非調和をシミュレートします.
  • マルチフォトン統計とフィードバック制御を用いて状態を特定する.

主要な成果:

  • H2CS,SO3,N4のような分子で 振動刺激を成功裏にシミュレートしました
  • N-メチラセタミド (ペプチド結合モデル) でコヒーレントと脱相エネルギー輸送をモデル化した.
  • H2Oでシミュレートされた熱的リラックスとアンハーモニック効果.
  • NH3における分子解離経路に影響を与える量子状態を特定した.

結論:

  • 再プログラム可能な光子チップは 分子量子力学の強力な新しいシミュレーションツールを提供します
  • このアプローチは,汎用的な量子シミュレーションを可能にすることで,フェムト化学の分野を前進させます.
  • このプラットフォームは分子における多様な量子力学的行動の研究を容易にする.