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.
