Paper detail

Dynamic core polarization in strong-field ionization of CO molecules

The orientation-dependent strong-field ionization of CO molecules is investigated using the fully propagated three-dimensional time-dependent Hartree-Fock theory. The full ionization results are in good agreement with recent experiments. The comparisons between the full method and single active orbital (SAO) method show that although the core electrons are generally more tightly bounded and contribute little to the total ionization yields, their dynamics cannot be ignored, which effectively modify the behaviors of electrons in the highest occupied molecular orbital. By incorporating it into the SAO method, we identify that the dynamic core polarization plays an important role in the strong-field tunneling ionization of CO molecules, which is helpful for future development of tunneling ionization theory of molecules beyond single active electron approximation.