Multiconfiguration time-dependent Hartree approach for electron-nuclear correlation in strong laser fields

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. © 2010 The American Physical Society

Absorbing boundaries in the mean-field approximation

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. © 2010 The American Physical Society.DFG/EXC/QUES