SLIMP: Strong laser interaction model package for atoms and molecules. We present the SLIMP package, which provides an efficient way for the calculation of strong-field ionization rate and high-order harmonic spectra based on the single active electron approximation. The initial states are taken as single-particle orbitals directly from output files of the general purpose quantum chemistry programs GAMESS, Firefly and Gaussian. For ionization, the molecular Ammosov–Delone–Krainov theory, and both the length gauge and velocity gauge Keldysh–Faisal–Reiss theories are implemented, while the Lewenstein model is used for harmonic spectra. Furthermore, it is also efficient for the evaluation of orbital coordinates wavefunction, momentum wavefunction, orbital dipole moment and calculation of orbital integrations. This package can be applied to quite large basis sets and complex molecules with many atoms, and is implemented to allow easy extensions for additional capabilities.
References in zbMATH (referenced in 1 article )
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- Zhang, Bin; Yuan, Jianmin; Zhao, Zengxiu: DMTDHF: a full dimensional time-dependent Hartree-Fock program for diatomic molecules in strong laser fields (2015)