The Electronic Structure of Fluids

Richard M.斯特拉特得到了 理论与计算化学课程 材料理论课程进行理论研究， 流体的电子结构 斯特拉特正在开发新的 理论和计算技术研究 液态系统的电子结构， 从绝缘体到半导体再到金属， 密度或成分的函数。 的具体实例 将研究包括膨胀汞和铯和熔融 砷和硅，其中表现出不寻常的水平， 流体结构和要求之间的协同性 由电子行为所决定。 需要处理的具体问题 涉及电子相互作用的影响， 定向绑定 %%% 不仅可以找到绝缘的液体， 半导体和金属，人们甚至可以找到液体， 可以使一种行为不断地转化为 作为密度的函数。 这种可调性 在小分子或大体积中并不常见 固体 对这些问题的基本理论理解 原子或分子水平上的详细相互作用可以 很可能导致新的流体材料的发展， 可调的电子行为

Professor Richard M. Stratt is supported by a grant from the Theoretical and Computational Chemistry Program and the Materials Theory Program to perform theoretical research in electronic structure of fluids. Stratt is developing new theoretical and computational techniques for studying the electronic structure of liquid state systems which undergo changes from insulators to semiconductors to metals as a function of density or composition. Specific examples which will be studied include expanded mercury and cesium and molten arsenic and silicon, which exhibit an unusual level of cooperativity between the fluid structure and the requirements imposed by electronic behavior. Specific problems to be dealt with involve the effects of electron interaction and directional binding. %%% Not only can one find liquids that are insulating, semiconducting, and metallic, one can even find liquids that can be made to transform continuously from one kind of behavior to another as a function of density. This kind of tunability is not commonly found in either small molecules or in bulk solids. A fundamental theoretical understanding of these detailed interactions at the atomic or molecular level could very likely lead to the development of new fluid materials with tunable electronic behavior.