Electron nuclear dynamics of LiH and HF in an intense laser field

The electron nuclear dynamics theory (END) extended to include a time-dependent external field is briefly described. The dynamical equations, in addition to the full electron nuclear coupling Germs, now also contain the interactions of both the nuclei and the electrons with the external field. This extended END theory is applied to the study of vibrational excitations of the simple diatomics HF and LiH. The END results using an intense infrared laser field are compared with those of molecular dynamics as well as those from quantum wave-packet calculations. While the effect of the nonadiabatic electron-nuclear coupling terms on the vibrational dynamics is negligible for the chosen application, the electron-field coupling has a significant impact. [S1050-2947(97)04412-0].