Molecular Relaxation and Radiative Processes

在超快非线性光谱中对分子内和溶剂化动力学的研究是化学系理论与计算化学项目的一部分。对极性和非极性液体中发色团的光学响应进行了计算模拟。目前正在研究苯/氩气团簇和水团簇。计算受限激子协同辐射动力学的方法正在发展，并应用于稀有气团的激子响应。超辐射效应和极化子效应对液体和无序固体中延迟分子间相互作用的影响是一致的。现代光谱学方法经常揭示液体和固体中的分子如何相互作用以及如何与辐射相互作用。这些信息可以借助本研究项目中正在开发的理论和计算模拟来获得，并应用于诸如水分子簇之类的系统。

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.