We simulate the dynamics of H2+ and HD+ by direct solution of the time-dependent Schroedinger equation for the electronic and nuclear motion for the interaction of intense femtosecond pulses. On these timescales the rotational motion, even for such light molecules, is frozen. Therefore it is a reasonable assumption that the nuclear alignment is fixed during the pulse interaction and that rotation can be neglected. In terms of vibrational relaxation, and since the nuclei are light, vibration will be important over femtosecond timescales. Although homonuclear diatomics are IR-inactive, in an intense field one can create vibrational excitation through continuum coupling. To show the effect of vibration, consider a first approximation in which the nuclei are infinitely massive so they maintain their positions at a fixed bond length of R=2 a.u., throughout the process.
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