Relaxation Spectroscopy and Transport in Condensed Phases

詹姆斯·斯金纳教授得到了理论与计算化学项目的资助，继续他在凝聚态弛豫、光谱学和输运方面的研究。斯金纳采用了一个模型系统，该系统由两个量子水平与量子力学浴耦合组成，用于弛豫过程的研究，并应用于光谱学的许多不同分支。在通常的方法中，假设量子能级和浴槽之间的耦合是弱的，并且初始密度矩阵因子化为量子能级的密度矩阵和浴槽的密度矩阵的乘积。斯金纳方法的不同之处在于，他对简化密度矩阵的松弛特性的研究不涉及这两种假设中的任何一种。斯金纳将发展晶体中不均匀线形的微观理论，他将把这一理论应用于几个实验的结果。他还将发展液体和致密气体（如超临界流体）电子能谱的统计力学动力学理论。过去的十年已经表明，无序是造成材料许多重要性质的原因。此外，电子在凝聚态物质中的输运对生物学和太阳能收集具有重要意义，它受到无序的极大影响。斯金纳的研究在分子水平上提供了重要的见解，这将使人们更清楚地了解无序影响凝聚相化学系统重要材料性质的方式。

Professor James Skinner is supported by a grant from the Theoretical and Computational Chemistry Program to continue his work in studies of relaxation, spectroscopy, and transport in condensed phases. Skinner employs a model system consisting of two quantum levels coupled to a quantum mechanical bath which is used for studies of relaxation processes, and has applications to many different branches of spectroscopy. In the usual approach it is assumed that the coupling between the quantum levels and the bath is weak, and that the initial density matrix factors into a product of density matrices for the quantum levels and one for the bath. Skinner's approach differs in that his studies of the relaxation properties of the reduced density matrix do not involve either of these two assumptions. Skinner will develop a microscopic theory of inhomogeneous lineshapes in crystals which he will apply to results of several experiments. He also will develop a statistical mechanical dynamical theory of electronic spectroscopy in liquids and dense gases such as supercritical fluids. %%% The last decade has shown that disorder is responsible for many important properties of materials. In addition, the transport of electrons in condensed matter, which has important implications for biology and solar energy collection, is greatly affected by disorder. Skinner's research provides important insights at the molecular level which will lead to a clearer understanding of the way in which disorder influences the important material properties of condensed phase chemical systems.