Presidential Young Investigator Award: Highly Excited Dynamics and Spectroscopy of Polyatomic Molecules

西伯特教授是总统青年研究员奖获得者。他的研究在化学学部的理论与计算物理化学项目。他将研究分子内能量流动的机制和途径。这些研究在单分子速率理论、激光诱导解离、模式选择效应和势能面测定等方面发挥着重要作用。替代量子力学方法将探索和发展的系统与两个以上的自由度。有效哈密顿量将被开发用于振动问题，使用规范范弗莱克摄动理论来理解激发态的复杂性质。该理论在算符框架中的应用，通过只包括最中心的旋转-振动耦合，避免了在光谱和动力学分析中需要大的基集。

Professor Sibert is a Presidential Young Investigator awardee. His research is in the Theoretical and Computational Physical Chemistry Program of the Chemistry Division. He will study the mechanisms and pathways of intramolecular energy flow. These studies play a vital role in unimolecular rate theories, laser induced dissociation, mode selective effects, and the determination of potential energy surfaces. Alternative quantum mechanical approaches will be explored and developed for systems with more than two degrees-of-freedom. Effective Hamiltonians will be developed for vibrational problems using canonical Van Vleck perturbation theory to understand the complex nature of excited states. Application of this theory in an operator framework obviates the need for large basis sets in the analysis of spectra and dynamics by including only the most central rotation-vibration couplings.