Determination of structure parameters in molecular tunnelling ionisation model

作者：Wang, Jun-Ping; Zhao, Song-Feng^*; Zhang, Cai-Rong; Li, Wei; Zhou, Xiao-Xin

来源：Molecular Physics, 2014, 112(8): 1102-1114.

DOI：10.1080/00268976.2013.833349

• structure parameters of molecules
• molecular strong-field approximation theory
• molecular tunnelling ionisation model
• orientation-dependent ionisation rates

We extracted the accurate structure parameters in a molecular tunnelling ionisation model (the so-called MO-ADK model) for 23 selected linear molecules including some inner orbitals. The molecular wave functions with the correct asymptotic behaviour are obtained by solving the time-independent Schrodinger equation with B-spline functions and molecular potentials numerically constructed using the modified Leeuwen-Baerends (LB alpha) model. We show that the orientation-dependent ionisation rate reflects the shape of the ionising orbitals in general. The influences of the Stark shifts of the energy levels on the orientation-dependent ionisation rates of the polar molecules are studied. We also examine the angle-dependent ionisation rates (or probabilities) based on the MO-ADK model by comparing with the molecular strong-field approximation calculations and with recent experimental measurements.

• 出版日期2014-4-18
• 单位西北师范大学; 兰州理工大学