Electronic state and potential energy function for UH2+

• 来源期刊: 中国物理（英文版）
• 关键词: UH2+ potential energy function electronic state vertical ionization potential
• 年，卷（期）: 2003,（2）
• 页码范围: 154-158
• 页数: 5页
• 语种: 英文

摘要

Our theoretical study on UH2+(X4∑) using a density functional method shows that its potential energy curve has both minimum and maximum, which is the so-called "energy trapped" molecules. This sort of potential maximum is mainly caused by Coulomb repulsion. We have proposed the perturbation effect of ionic charges to explain the existence of the potential maximum for diatomic ions, and derived an analytic potential energy function has been derived, and the force constants and spectroscopic data are obtained. Finally, the vertical ionization potential for UH2+ has been calculated as well.