Intense-laser-induced electron transfer and structure deformation of molecules

The electronic and nuclear dynamics of H⁺₂ and H₂ in intense laser fields are examined by solving the time-dependent Schrödinger equations for the systems. We clarify the dynamics of bound electrons and the subsequent ionization process in terms of "field-following" adiabatic states. The adiabatic state analysis leads to an electrostatic model in which each atom in a molecule is charged by laser-induced electron transfer and ionization proceeds via the most unsatable atomic site. We apply this model to multi-electron molecules with the help of ab initio molecular orbital calculations; the structure deformations of CO₂ cations in an intense field are investigated. The control of electronic and nuclear dynamics is briefly discussed from the viewpoint of the dynamics on adiabatic states.