Accurate Structure Parameters for Tunneling Ionization Rates of Gas-Phase Linear Molecules

作者：Zhao, Song-Feng^*; Li, Jian-Ke; Wang, Guo-Li; Li, Peng-Cheng; Zhou, Xiao-Xin^*

来源：Communications in Theoretical Physics, 2017, 67(3): 289-300.

DOI：10.1088/0253-6102/67/3/289

• molecular structure parameters
• one-electron potentials
• molecular ADK model

In the molecular Ammosov-Delone-Krainov (MO-ADK) model of Tong et al. [Phys. Rev. A 66 (2002) 033402], the ionization rate depends on the structure parameters of the molecular orbital from which the electron is removed. We determine systematically and tabulate accurate structure parameters of the highest occupied molecular orbital (HOMO) for 123 gas-phase linear molecules by solving time-independent Schrodinger equation with B-spline functions and molecular potentials which are constructed numerically using the modified Leeuwen-Baerends (LB alpha) model.

• 出版日期2017-3-1
• 单位西北师范大学