题目:Density-functional theoretical study of excited states and dynamics involving excited states of atomic systems
报告人:Dr. Zhongyuan Zhou (Department of Chemistry University of Kansas,USA)
摘要:
A spin-dependent density-functional approach based on localized Hartree-Fock exchange potential is proposed for investigation of excited states and dynamics related to the excited states of atomic systems. In this approach, the electron spin orbitals in an electronic configuration are obtained by solving Kohn-Sham equation with an exact nonvariational spin-dependent localized Hartree-Fock exchange potential and the single-Slater-determinant energy of the electronic configuration is calculated by using these electron spin orbitals. This approach together with Slater’s diagonal sum rule has been applied to the calculation of multiplet energies of outer- and inner- shell excited states of atomic systems. This approach combined with linear response approximation has also been used to calculate the photoionization cross sections from the ground and excited states of atomic systems.
Dr. Zhongyuan Zhou 简介:
周忠源教授于1993年在吉林大学获博士学位,2000年任教授。2001年-2005年到美国University of Kansas 作访问教授,2006年任高级研究员。他主要研究领域包括:(1) Electron transient transport in molecular and nanoscale electronic devices;(2) Density functional theory (DFT) for excited-state dynamics of atomic and molecular systems;(3) Dynamics of atomic and molecular systems in ultra-short strong laser fields;(4) Quantum computing and stochastic nonlinear dynamics in quantum computing等。在国际著名杂志发表论文100余篇。
时间:2009年7月1日(星期三)上午10:30
地点:中科院物理研究所D楼211会议室
联系人:王兵兵 副研究员(Tel:82649017)
金奎娟 研究员 (Tel:82648099)
主办单位:中国科学院光物理重点实验室