We determine the structure parameters for the asymmetric heteronuclear diatomic molecule HeH2＋ at several internuclear distances with the molecular wavefunctions obtained by solving the time-independent Schr6dinger e...We determine the structure parameters for the asymmetric heteronuclear diatomic molecule HeH2＋ at several internuclear distances with the molecular wavefunctions obtained by solving the time-independent Schr6dinger equation with B-spline basis. Then the angular dependence of strong-field ionization rates of HeH2＋ are investigated with the molecular tunneling ionization theory. We show that the shape of several lowly excited states （i.e. 2pσ, 2pπ, 3dσ） for HeH2＋ are reflected in the orientation dependent ionization rates very well, however, the angle-dependent ionization rate fails to follow the angular distribution of the asymptotic electron density for the ground state lsσ. We also show that the internuclear distance dependent ionization probabilities are in a good agreement with the more accurate result obtained from the numerical solution of the time-dependent Schr6dinger equation.展开更多
基金Supported by the National Natural Science Foundation of China under Grant Nos.11164025,11044007,11064013the Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant Nos.20096203110001,20116203120001the Foundation of Northwest Normal University under Grant No.NWNU-KJCXGC-03-62
文摘We determine the structure parameters for the asymmetric heteronuclear diatomic molecule HeH2＋ at several internuclear distances with the molecular wavefunctions obtained by solving the time-independent Schr6dinger equation with B-spline basis. Then the angular dependence of strong-field ionization rates of HeH2＋ are investigated with the molecular tunneling ionization theory. We show that the shape of several lowly excited states （i.e. 2pσ, 2pπ, 3dσ） for HeH2＋ are reflected in the orientation dependent ionization rates very well, however, the angle-dependent ionization rate fails to follow the angular distribution of the asymptotic electron density for the ground state lsσ. We also show that the internuclear distance dependent ionization probabilities are in a good agreement with the more accurate result obtained from the numerical solution of the time-dependent Schr6dinger equation.
