標題: Determination of structure parameters in strong-field tunneling ionization theory of molecules
作者: Zhao, Song-Feng
Jin, Cheng
Le, Anh-Thu
Jiang, T. F.
Lin, C. D.
物理研究所
Institute of Physics
公開日期: 1-Mar-2010
摘要: In the strong field molecular tunneling ionization theory of Tong et al. [Phys. Rev. A 66, 033402 (2002)], the ionization rate depends on the asymptotic wave function of the molecular orbital from which the electron is removed. The orbital wave functions obtained from standard quantum chemistry packages in general are not good enough in the asymptotic region. Here we construct a one-electron model potential for several linear molecules using density functional theory. We show that the asymptotic wave function can be improved with an iteration method and after one iteration accurate asymptotic wave functions and structure parameters are determined. With the new parameters we examine the alignment-dependent tunneling ionization probabilities for several molecules and compare with other calculations and with recent measurements, including ionization from inner molecular orbitals.
URI: http://dx.doi.org/10.1103/PhysRevA.81.033423
http://hdl.handle.net/11536/5750
ISSN: 1050-2947
DOI: 10.1103/PhysRevA.81.033423
期刊: PHYSICAL REVIEW A
Volume: 81
Issue: 3
起始頁: 0
結束頁: 0
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