Path Integral Studies of Na Metal Clusters and Related Bulk Systems

在化学系理论和计算化学计划的这个项目中，霍尔教授将为研究钠等金属团簇开发新的数学模型。这最终将导致对无序凝聚相的更复杂的研究。量子力学的路径积分公式将被用来研究钠金属团簇，电子气体，并作为一种手段来确定钠的莫特转变。这项研究的长期目标是开发能够确定无序凝聚相系统中关联电子性质的方法。钠金属团簇的研究将集中在确定电子离域的程度作为团簇大小的函数。电子气和体钠计算将研究绝缘体-金属转变的各个方面。

In this project in the Theoretical and Computational Chemistry Program of the Chemistry Division, Professor Hall will develop new mathematical models for the study of clusters of metals such as sodium. This will eventually lead to more complex investigations of disordered condensed phases. The path integral formulation of quantum mechanics will be used to study sodium metal clusters, the elctron gas, and as a means for determining the Mott transition in sodium. The long term goal of this research is to develop methods that are capable of determining correlated electron properties in disordered condensed phase systems. The studies of sodium metal clusters will focus on determining the extent of electron delocalization as a function of cluster size. The electron gas and bulk sodium calculations will investigate aspects of the insulator-metal transition.