期刊
CHEMICAL PHYSICS
卷 391, 期 1, 页码 143-146出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemphys.2011.02.009
关键词
Time-dependent density functional theory; Adiabatic approximation; Strong-field ionization; Inversion problem; Derivative discontinuity
资金
- Deutsche Forschungsgemeinschaft
It has recently been shown by Thiele et al. [M. Thiele, E. K. U. Gross, S. Kummel, Phys. Rev. Lett. 100 (2008) 153004] that the exact adiabatic approximation in time-dependent density functional theory gives a good description of non-sequential double ionization in the one-dimensional helium atom. In this paper, we propose an adiabatic approximation based on the inversion of ground-state spin-density functional theory and apply it to several model systems. We demonstrate that our approach reproduces the derivative discontinuity and yields correlation potentials close to the exact correlation potentials for a strong-field ionization process as well as for the 1D H-2 and LiH molecules at large internuclear distance. (C) 2011 Elsevier B. V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据