Theoretical Study of Molecular Ions and Clusters

在化学系理论与计算物理化学专业的这个项目中，Jordan教授将研究中性和带电原子团簇的电子结构，以确定其离子的寿命和能量。一种稳定/解析延拓方法将被应用于确定几类簇离子的能量和寿命。考虑的系统将包括碱卤化物、二氧化碳、氧化亚氮、双氧、氰化氢和乙腈簇的负离子。还将研究多镁正离子团簇和多铝负离子团簇，包括那些不稳定的电子喷射。

In this project in the Theoretical and Computational Physical Chemistry Program of the Chemistry Division, Prof. Jordan will study the electronic structure of neutral and charged atomic clusters to determine lifetimes and energies of their ions. A stabilization/analytic continuation method will be applied to determine the energies and lifetimes of several classes of cluster ions. Systems considered will include negative ions of alkali halide, carbon dioxide, nitrous oxide, dioxygen, hydrogen cyanide, and acetonitrile clusters. Studies will also be made of polymagnesium positive ion clusters and polyaluminum negative ion clusters, including those which are unstable toward electron ejection.