Time-dependent complete-active-space self-consistent-field method for   atoms: Application to high-harmonic generation
  We present the 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 designed for stable propagation of stiff spatial derivative operators. We apply this method to high-harmonic generation in helium, beryllium, and neon and explore the role of electron correlations. 
Takeshi Sato, Kenichi L. Ishikawa, Iva Brezinova, Fabian Lackner,   Stefan Nagele, Joachim Burgdorfer
physics.atom-ph