Excited state electron-ion quantum dynamics

摘要：

　　Real-time time-dependent density functional theory(TDDFT)has been implemented using local atomic basis,which enables large scale simulations on electron-ion dynamics at more realistic complex interface systems.The electron-ion evolution is driven by a Hamiltonian that builds upon excited state electron density.

作者: Sheng Meng

作者单位: Institute of Physics,Chinese Academy of Sciences,Beijing 100190

会议类型: 国内会议

会议名称: The 6th International Conference on Nanoscience and Technology, China 2015 (第六届中国国际纳米科学技术会议)

会议地点: 北京

会议语种:英文

页码: 121-121

在线出版日期: 2015-09-03（万方平台首次上网日期，不代表论文的发表时间）