STUDY OF ANALYTIC POTENTIAL ENERGY FUNCTION AND STABILITY FOR PuOn＋ WITH DENSITY FUNCTIONAL THEORY

• 来源期刊: 中国物理(英文版)
• 学科: 物理学
• 关键词: PuOn＋ molecular ions potential energy function stability
• 年，卷（期）: 2001,（6）
• 页码范围: 501-504
• 页数: 4页
• 分类号: O4
• 语种: 英文

摘要

The theoretical study of PuOn＋(n＝l,2,3) using a density functional method shows that PuO＋ (X6∑-) and PuO2＋ (X5∑-, 7∑-, 9∑-) ions are stable, and the PuO3＋ (4∑＋, 6∑＋) ion is unstable. The analytic potential energy functions of X6∑- for PuO＋ and X5∑-, 7∑-, 9∑- for PuO2＋ have been derived, and their force constants and spectroscopic data have been calculated.