Quantum Spectroscopy and Dynamics of Molecules with Highly Excited Large Amplitude Vibrations

在理论和计算程序中获得了这笔赠款， 在化学系，Bacic教授计划开发 精确的量子力学处理方法 旋转振动的分子 各种静态和动态的精确量子描述 高振转激发的软分子的性质 将被开发，重点是强耦合之间的 高J旋转和非谐大振幅振动 三个和四个原子的分子。 还将执行的是 激光诱导异构化的量子研究 多模式系统，通过以下的时间演变 初始状态，以及量子3D处理 高振动激发三原子的光解离 分子。

With this grant in the Theoretical and Computational Program of the Chemistry Division, Professor Bacic plans to develop methodologies for the accurate quantum mechanical treatment of rotating, vibrating molecules. Accurate quantum descriptions of various static and dynamic properties of highly rovibrationally excited floppy molecules will be developed, with emphasis on strong coupling between the high-J rotation and anharmonic large amplitude vibrations for three- and four-atom molecules. Also to be performed are quantum studies of laser-induced isomerization in realistic multi-mode systems, by following the time evolution of the initial state, and a quantum 3D treatment of the photodissociation of highly vibrationally excited triatomic molecules.