Bound and Continuum Properties of Lathanide and Actinide Anions and Atoms

镧系元素和锕系元素阴离子和原子的束缚和连续性质

• 批准号: 0354793
• 负责人: Donald Beck
• 金额: $ 15万
• 依托单位: Michigan Technological University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-06-01 至 2007-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0354793&HistoricalAwards=false
• 关键词: Bound; Continuum; Properties; Lathanide; Actinide

Lightly ionized medium to high-Z atoms have been little studied theoretically, because they require the simultaneous inclusion of relativity and correlation. For the latter, the presence of open d and/or f subshell electrons makes obtaining accurate computational results quite challenging. 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, hydrogen energy storage, plasma fusion devices, astrophysics, etc. The negative ions are particularly challenging to both the theorist and experimenter.The research will continue calculations on the aforementioned bound state systems and extend the work to treat continuum properties such as photoionization and the energies and widths of resonances.

轻离化中到高Z原子的理论研究很少，因为它们需要同时包含相对论和关联。对于后者，开放的d和/或f亚壳层电子的存在使得获得准确的计算结果相当具有挑战性。这些物种占周期表的一半以上，在催化、先进光源、原子钟、核废料、半导体缺陷、稀土磁体、高温超导体、氢能储存、等离子体聚变装置、天体物理学、负离子对理论家和实验者都是一个特别具有挑战性的问题。本研究将继续对上述束缚进行计算状态系统和扩展的工作，以处理连续属性，如光电离和能量和共振宽度。