Theory of Quantum Dynamics with Application to Condensed Phase and Macroscopic Systems

罗布·科尔森得到了理论和 计算化学计划，继续他的理论研究， 量子动力学及其在凝聚相和宏观上的应用 系统. Coalson将采用计算多体量子动力学 在两个研究领域的研究方法：1）量子动力学 凝聚相，重点是振动线型和电子 转移速率;和2）大离子之间的静电相互作用， 电解质溶液与带电胶体系统有关。 这 研究旨在对这些现象获得基本的见解， 光吸收的生色团在凝聚相的作用， 电子转移动力学中的非平衡初始态制备， 高浓度下大离子/电解质体系的静电相互作用 浓度和密度。 与此同时，在技术上， 例如使用激光场来控制凝聚相 将探索电子转移速率。 Coalson的研究将有助于从分子水平上了解 激光辐射与凝聚相系统的基本相互作用。 这一理解可能会对未来产生重要的长期影响。 材料合成和加工领域。

Rob Coalson is supported by a grant from the Theoretical and Computational Chemistry Program to continue his research in the theory of quantum dynamics with application to condensed phase and macroscopic systems. Coalson will employ computational many-body quantum dynamics approaches to studies in two areas of research: 1) quantum dynamics in condensed phases with emphasis on vibronic lineshapes and electron transfer rates; and 2) electrostatic interactions between macroions in electrolytic solution as relevant to charged colloid systems. This research seeks to achieve fundamental insights into such phenomena as optical absorption of chromophores in condensed phase, the role of nonequilibrium initial state preparation in electron transfer dynamics, and electrostatic interactions of macroion / electrolyte systems at high concentration and density. At the same time, technologically important applications such as the use of laser fields to control condensed phase electron transfer rates will be explored. Coalson's research will lead to a molecular level understanding of the fundamental interactions of laser radiation with condensed phase systems. This understanding could have important long range implications in the area of materials synthesis and processing.