Time-dependent relativistic density functional study of Yb and YbO

• 作 者: WenHua Xu (1) Yong Zhang (1)
• 机 构: 1.BeijingNationalLaboratoryforMolecularSciences
• 出 处: 中国科学：化学英文版
• 发表日期: 2009年11期
• 关键词: LANTHANIDE compound excited states f-orbital TRANSITIONS TIME-DEPENDENT RELATIVI
• 基金项目: Supported by the National Natural Science Foundation of China (Grant Nos. 20573003, 20625311 and 20773003),MOST of China (Grant Nos. 2006CB601103 and 2006AA01A119)

The low-lying electronic states of Yb and YbO are investigated by using time-dependent relativistic density functional theory,which is based on the newly developed exact two-component Hamiltonian resulting from symmetrized elimination of the small compone