Quantum studies of dissociative electron attachment to molecules

分子离解电子附着的量子研究

• 批准号: DE240100176
• 负责人: Dr Liam Scarlett
• 金额: $ 24.21万
• 依托单位: Curtin University
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Early Career Researcher Award
• 财政年份: 2024
• 资助国家: 澳大利亚
• 起止时间: 2024-01-01 至 2026-12-31
• 项目状态: 未结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DE240100176
• 关键词: Quantum; studies; dissociative; electron; attachment

The ability to predict the outcomes of molecular collisions is a difficult, yet important, problem with many applications in science and industry. Recent work at Curtin University has led to the first complete solution of the electronic part of the scattering problem for collisions with the hydrogen molecule, a major breakthrough in the field. This project will build on this progress to accurately model the nuclear motion during collisions, which will enable the first calculations of molecular dissociation processes without the use of approximations. The data which will be produced is highly sought-after in fusion energy and astrophysics applications.

预测分子碰撞结果的能力对于科学和工业中的许多应用来说是一个困难但又重要的问题。科廷大学最近的工作首次完整解决了与氢分子碰撞时电子部分的散射问题，这是该领域的重大突破。该项目将在此基础上精确模拟碰撞过程中的核运动，这将能够在不使用近似值的情况下首次计算分子解离过程。将产生的数据在聚变能和天体物理学应用中非常受欢迎。