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

理论与计算化学计划 化学系正在支持Cina教授的研究， 时间演化的数值和分析研究 大振幅电子几何相位因子 多原子分子中的核运动。 动力学计算 与定向和非定向样品相关的材料被用于 研究实验观察的可能性 量子绝热相位效应 的理论研究 相互作用超快相位相干光谱 化学系统也在进行中。 %%% 可以使用激光照射来引导和 控制化学反应的进程。 为了实现 这一目标，能源再分配的途径， 必须更好地理解吸收分子的内部。 Cina教授的理论计算旨在探索 在这方面进行一些开创性实验的可能性 领域

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.