Implementation of the multiconfiguration time-dependent Hatree-Fock method for general molecules on a multiresolution Cartesian grid

  title={Implementation of the multiconfiguration time-dependent Hatree-Fock method for general molecules on a multiresolution Cartesian grid},
  author={Ryohto Sawada and Takeshi Sato and Kenichi L. Ishikawa},
  journal={Physical Review A},
We report a three-dimensional numerical implementation of multiconfiguration time-dependent Hartree-Fock (MCTDHF) based on a multi-resolution Cartesian grid, with no need to assume any symmetry of molecular structure. We successfully compute high-harmonic generation (HHG) of H2 and H2O. The present implementation will open a way to the first-principle theoretical study of intense-field and attosecond-pulse induced ultrafast phenomena in general molecules. 

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