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

化学学部的理论与计算化学项目支持china教授对多原子分子中电子几何相因子在大振幅核运动下的时间演化进行数值和分析研究。有取向和无取向样品的动力学计算被用于研究量子绝热相效应实验观测的可能性。超快相参光谱学在相互作用化学体系中的理论研究也在进行中。用激光照射来指导和控制化学反应的过程是可能的。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。china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。

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.