Laser Spectroscopy and Electronic Structure Theory of Diatomic Molecules: Beyond Hund's Cases to Supermultiplets,Superconfigurations, and Channels (Physics)

激光光谱学和双原子分子的电子结构理论：超越亨德的案例到超多重态、超构型和通道（物理学）

• 批准号: 8709759
• 负责人: Robert Field
• 金额: $ 65.24万
• 依托单位: Massachusetts Institute of Technology
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1987
• 资助国家: 美国
• 起止时间: 1987-08-01 至 1992-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8709759&HistoricalAwards=false
• 关键词: Laser; Spectroscopy; Electronic; Structure; Theory

This research combines experiment and theory in a continuing effort to formulate and test new approaches to the electronic structure of diatomic molecules. A key element is the recognition of natural groupings of electronic states into "super-states" (supermultiplets, superconfigurations, and channels) which reflect an approximate factorization of a complex, many-body system into weakly interacting sub-systems. A well chosen zero-order model can be useful in assigning, fitting, and interpreting a spectrum, but its greatest value lies in its revelation of interrelationships between observables, states and molecules. The beauty of molecular electronic structure lies in the simplicity and periodicity concealed beneath the complexity of a spectrum or in the enormous differences between the electronic level diagrams of two intuitively similar molecules.

这项研究将实验和理论结合起来，继续努力制定和测试双原子分子电子结构的新方法。一个关键因素是将电子态的自然分组识别为“超态”(超多重态、超组态和通道)，这反映了复杂的多体系统到弱相互作用的子系统的近似因式分解。一个选择得当的零级模型可以用于指定、拟合和解释光谱，但它最大的价值在于它揭示了可观测性、状态和分子之间的相互关系。分子电子结构的美在于隐藏在光谱复杂性之下的简单性和周期性，或者在于两个直观上相似的分子的电子能级图之间的巨大差异。