Molecular Relaxation and Radiative Processes

本研究的分子内和溶剂化动力学， 超快非线性光谱学是理论的一部分， 化学与计算化学系 化学. 研究了发色团在极性和极性介质中的光学响应， 非极性液体正在被计算机模拟。 两 正在研究苯/氩和水团簇。 方法 用于计算受限的合作辐射动力学 激子正在开发和应用于激子 稀有气体团簇的响应。 超辐射与极化激元 对液体中延迟的分子间相互作用的影响， 无序固体以一致的方式被处理。 %%% 现代光谱学方法经常揭示分子如何在 液体和固体相互作用并与辐射相互作用。 这些信息可以借助理论和 本文正在开发的类型的计算模拟 研究计划，并应用于系统，如集群， 水分子

This investigation of intramolecular and solvation dynamics in ultrafast nonlinear spectroscopy is a part of the Theoretical and Computational Chemistry Program of the Division of Chemistry. The optical response of chromophores in polar and nonpolar liquids is being computationally simulated. Both benzene/argon and water clusters are being studied. Methods for calculating the cooperative radiative dynamics of confined excitons is being developed and applied to the excitonic response of rare-gas clusters. Superradiance and polariton effects on retarded intermolecular interactions in liquids and disordered solids are being treated in a consistent way. %%% Modern spectroscopic methods often reveal how molecules in liquids and solids interact with each other and with radiation. This information can be obtained with aid of theories and computational simulations of the types being developed in this program of studies and applied to systems such as clusters of water molecules.