I. Theoretical Studies of Geometric Phase Evolution in Polyatomic Molecules II. Theoretical Studies of Phase- Coherent Optical Spectroscopy

I. 多原子分子几何相演化的理论研究 II．

• 批准号: 9121260
• 负责人: Jeffrey Cina
• 金额: $ 19.5万
• 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: 1992
• 资助国家: 美国
• 起止时间: 1992-01-01 至 1994-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9121260&HistoricalAwards=false
• 关键词: I.; Theoretical; Studies; Geometric; Phase

The Theoretical and Computational Chemistry Program of the Chemistry Division is supporting research by Professor Cina on numerical and analytical studies of the time evolution of electronic geometric phase factors under large amplitude nuclear motion in polyatomic molecules. Dynamics calculations pertinent to oriented and unoriented samples are being used to investigate the possibility of experimental observation of quantum adiabatic phase effects. Theoretical studies of ultrafast phase-coherent optical spectroscopy on interacting chemical systems are also being carried out. %%% It may be possible to use laser irradiation to direct and control the course of chemical reactions. In order to achieve this objective, the pathways for redistribution of energy within an absorbing molecule must be better understood. Professor Cina's theoretical calculations are intended to probe the possibility for a number of seminal experiments in this field.

化学系的理论和计算化学计划支持Cina教授的研究，即多原子分子中电子几何相因子在大幅度核运动下的时间演化的数值和分析研究。与定向和非定向样品相关的动力学计算正被用于研究量子绝热相位效应的实验观测的可能性。关于相互作用化学体系的超快相干光谱学的理论研究也在进行中。%有可能使用激光照射来指导和控制化学反应过程。为了实现这一目标，必须更好地了解吸收分子内能量重新分配的途径。Cina教授的理论计算旨在探索在这一领域进行一些开创性实验的可能性。