摘要
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 Schr¨odinger equation with B-spline functions and molecular potentials which are constructed numerically using the modified Leeuwen–Baerends(LBα)model.
基金
Supported by National Natural Science Foundation of China under Grant Nos.11664035,11674268,11465016,11364038,11364039
the Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No.20116203120001
the Basic Scientific Research Foundation for Institution of Higher Learning of Gansu Province
