Dynamics of water dimer in femtosecond laser pulses: a simulation study

In this paper, we study the electronic and ionic dynamics of the water dimer subject to short and intense laser pulses. The dynamics is described by means of the time-dependent local-density approximation coupled to ionic molecular dynamics (TDLDA-MD) non-adiabatically. The impact of laser frequency on the response of water dimer is discussed by exploring the ionization, the dipole signal and bond lengths of water dimer. Furthermore, it is found that the water donor is more sensitive to the laser field than the water acceptor and the probabilities for the ionic states show the general pattern of the typical sequence of the interlaced production maxima.