Few-Body Problems at the Atomic Level

原子水平的少体问题

• 批准号: 8819387
• 负责人: R. Stephen Berry
• 金额: $ 36.92万
• 依托单位: University of Chicago
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-01-01 至 1991-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8819387&HistoricalAwards=false
• 关键词: Few; Body; Problems; Atomic; Level

In this project in the Theortetical and Computational PhysicalChemistry Program of the Chemistry Division, Prof. Berry will calculate the behavior of few-body systems at the atomic level. The work will examine vibration-rotation states of small molecules and freezing and melting in clusters of molecules. Electron correlation in atoms, especially the determination of the best approximate quantum numbers for particular states, will be quantified. The dynamics of highly excited rotation- vibration states will be used to predict spectra involving large amplitude motion and nonrigid behavior. Analysis of how chaos and ergodicity develop as functions of energy will be examined during solid-liquid phase changes in small clusters.

在化学系理论与计算物理化学项目的这个项目中，贝里教授将在原子水平上计算少体系统的行为。这项工作将研究小分子的振动旋转状态以及分子簇的冻结和熔化。 原子中的电子相关性，特别是确定特定状态的最佳近似量子数，将被量化。 高激发旋转振动状态的动力学将用于预测涉及大幅运动和非刚性行为的谱。将在小团簇的固液相变过程中检查混沌和遍历性如何作为能量函数发展的分析。