  We present a theoretical description of femtosecond laser induced dynamics of
the hydrogen molecule and of singly ionised sodium dimers, based on a
real-space, real-time, implementation of time-dependent density functional
theory (TDDFT). High harmonic generation, Coulomb explosion and laser induced
photo-dissociation are observed. The scheme also describes non-adiabatic
effects, such as the appearance of even harmonics for homopolar but
isotopically asymmetric dimers, even if the ions were treated classically. This
TDDFT-based method is reliable, scalable, and extensible to other phenomena
such as photoisomerization, molecular transport and chemical reactivity.
