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

在化学学部理论与计算项目的资助下，Bacic教授计划开发旋转、振动分子的精确量子力学处理方法。将对高振动激发的软盘分子的各种静态和动态特性进行精确的量子描述，重点是三原子和四原子分子的高j旋转和非调和振幅振动之间的强耦合。还将进行实际多模式系统中激光诱导异构化的量子研究，通过跟踪初始状态的时间演变，以及高度振动激发的三原子分子光解的量子3D处理。

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.