We introduce an implementation of the MCTDHF method in three dimensions restricted to cylindrical symmetry. Ionization yields for linear molecules in strong short laser pulses are calculated. We find a strong increase of ionization with molecule size, which is in striking disagreement with earlier results for one-dimensional model systems (Caillat et al 2005 Phys. Rev. A 71 012712).
We discuss the approximation of the meanfield terms appearing in computations of the multi-configuration time-dependent HartreeFock method for the solution of the time-dependent multi-particle (electronic) Schrödinger equation by hierarchical matrices. We give theoretical error bounds for the cross approximation defined by low rank approximations of admissible matrix sub-blocks, and illustrate the gain in performance by numerical experiments.
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