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Updated: Jan 16, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

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使用博尔兹曼运输方程在纳米材料中使用phonon介导放松,通过将密度函数理论基础的非adiabatic分子动力学与多体扰动理论结合起来

Hadassah B Griffin1, Andrei Kryjevski1

  • 1Department of Physics, North Dakota State University, Fargo, North Dakota 58108, USA.

The Journal of chemical physics
|October 2, 2025
PubMed
概括

这项研究引入了一种新方法来计算纳米材料中的激子-声子相互作用,使用博尔兹曼运输方程 (BE). 这种方法准确地模拟了声子介导的放松,改善了半导体纳米晶体的光发光谱预测.

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