Bound and Continuum Properties of Lanthanide and Actinide Atoms

该项目继续发展和应用量子力学方法来获得最复杂的原子和离子（过渡金属，镧系元素和锕系元素）的波函数和性质。这些元素占元素周期表的一半以上，在催化、先进照明光源、原子钟、核废料、半导体缺陷、稀土磁铁、高温超导体、等离子体聚变装置、激光源、MRI造影剂、防氢生成等方面具有重要的技术意义。许多技术和细节可以直接应用于分子和凝聚态物质的局域性质计算。员工接受开发计算机代码、分析技能和批判性思维方面的培训，通常进入私营部门从事软件工作。PI与大学和国家实验室的实验人员之间存在良好的“推拉”关系，这对双方都有利。有时，π π充当了研究最复杂原子性质的最后手段。

This project continues the development and application of quantum mechanical methods to obtain wavefunctions and properties of the most complicated atoms and ions (transition metals,lanthanides and actinides). These species, which constitute over half the periodic table, are technologically important in catalysis, advanced lighting sources, atomic clocks, nuclear waste, semi-conductor defects, rare-earth magnets, high temperature superconductors, plasma fusion devices, laser sources, MRI contrast agents, anti-hydrogen formation, etc. Many of the techniques and details can be directly applied in molecular and condensed matter calculations for localized properties. Personnel get trained in developing computer codes, in analysis skills, and critical thinking, and generally go into private sector software jobs. There is a good "push-pull" relationship between the PI and experimenters in universities and national labs which has benefitted both parties. At times the PI has acted as a provider of last resort for properties of the most complicated atoms.