Extracting Structure Parameters of Dimers for Molecular Tunneling Ionization Model
We determine structure parameters of the highest occupied molecular orbital (HOMO) of 27 dimers for the molecular tunneling ionization (so called MO ADK) model of Tong et al. (Phys. Rev. A 66 (2002) 033402) The molecular wave functions with correct asymptotic behavior are obtained by solving the time independent Schr" odinger equation with B spline functions and molecular potentials which are numerically created using the density functional theory. We examine the alignment dependent tunneling ionization probabilities from MO ADK model for several molecules by comparing with the molecular strong field approximation (MO SFA) calculations. We show the molecular Perelomov Popov Terent'ev (MO PPT) can successfully give the laser wavelength dependence of ionization rates (or probabilities) Based on the MO PPT model, two diatomic molecules having valence orbital with antibonding systems (i.e. Cl2, Ne2) show strong ionization suppression when compared with their corresponding closest companion atoms.