Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation

@article{Sato2016TimedependentCS,
  title={Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation},
  author={Takeshi Sato and Kenichi L. Ishikawa and Iva Březinov{\'a} and Fabian Lackner and Stefan Nagele and Joachim Burgdorfer},
  journal={Physical Review A},
  year={2016},
  volume={94},
  pages={023405}
}
We present a numerical implementation of the time-dependent complete-active-space self-consistent-field (TD-CASSCF) method [Phys. Rev. A 88, 023402 (2013)] for atoms driven by a strong linearly polarized laser pulse. The present implementation treats the problem in its full dimensionality and introduces a gauge-invariant frozen-core approximation, an efficient evaluation of the Coulomb mean field scaling linearly with the number of basis functions, and a split-operator method specifically… 

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