The multiconfiguration time-dependent Hartree approach is applied to study the electron-nuclear correlation in the dynamics of molecules subject to strong external laser fields, using the example of a model hydrogen molecular ion. The ground state of the system is well described by as few as two single-particle functions per degree of freedom. A significantly larger but moderate number of configurations is required to predict laser-induced fragmentation probabilities and high-order harmonic generation spectra accurately, showing that the correlation between electronic and nuclear degree of freedom is strongly increased by the presence of the laser field.
Absorbing boundaries in the mean-field approximation are investigated and applied to small systems interacting with strong laser fields. Two types of calculations are considered: (i) a variational approach with a complex absorbing potential included in the full Hamiltonian and (ii) the inclusion of a complex absorbing potential in the single-particle equations. It is elucidated that the second approach outperforms the variational approach for small grids.
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