Atoms and Clusters

R教授斯蒂芬·贝瑞在化学系，大学 芝加哥，由理论和计算科学基金会资助。 美国国家科学基金会原子和分子理论研究化学计划 集群这项资助所支持的工作分为四组福尔斯， 相关课题：（1）原子和分子的动力学性质 以结构阶段为重点的集群。(2)混沌和遍历 集群的行为。(3)地形之间的关系 团簇势能面与特殊团簇的形成 结构.具有特殊意义的是对团簇烧结的研究。 最后，（4）原子和分子中的电子关联，特别是 包括对3价和4价电子原子的研究。 无所不在的 主题是，理论研究直接关系到 实验研究 团簇是特殊而独特的物质形式， 孤立的原子和分子在一个极端和固体状态在 另一个极端。虽然团簇的性质对于它们的 就其本身而言，它们也很重要，因为它们弥合了这两个极端。 这项拨款支持的集群工作的一个长期目标是 了解群集属性如何决定，并最终与之合并， 整体性能所支持的工作整合了分析理论， 计算和计算机模拟的方法与三个主要的 目标：（1）加深对普通属性的理解， （2）确定物质在尺度上的新特性。 团簇和纳米颗粒;（3）激发新的实验。

Professor R. Stephen Berry at the Department of Chemistry, University of Chicago, is supported by a grant from the Theoretical and Computational Chemistry Program at NSF for theoretical studies of atomic and molecular clusters. The work supported by this grant falls into four groups of related topics: (1) The dynamical properties of atomic and molecular clusters with emphasis on structural phases. (2) The chaotic and ergotic behavior of clusters. (3) The relationship between the topography of cluster potential energy surfaces and the formation of special cluster structures. Of special significance is the study of cluster sintering. Finally, (4) electron correlation in atoms and molecules, specifically including the study of 3 and 4 valence electron atoms. An omnipresent theme is that the theoretical studies are directly related to experimental studies. Clusters are special and unique forms of matter which lie between isolated atoms and molecules at one extreme and the solid state at the other extreme. While the properties of clusters are important for their own sake, they are also important because they bridge these two extremes. A long term objective of the cluster work which this grant supports is to understand how cluster properties determine, and ultimately merge with, bulk properties. The supported work integrates analytic theory, computation, and computer simulation into an approach with three primary goals: (1) deepening the understanding of commonplace properties of matter; (2) identifying new properties specific to matter at the scale of clusters and nanoscale particles; and (3) stimulating new experiments.